2,2-di(tetrahydrofuryl)propane/nor/n2,2'-propane-2,2-diylditetrahydrofuran

2,2-Bis(2-oxolanyl)propane
2,2-Bis(2-tetrahydrofuryl)propane
2,2-Di(2-tetrahydrofuranyl)propane
2,2-Di(2-tetrahydrofuryl)propane
2,2-Ditetrahydrofurylpropane
2,2′-(1-Methylethylidene)bis[tetrahydrofuran]
2,2′-Isopropylidenebis(tetrahydrofuran)
2-[2-(Oxolan-2-yl)propan-2-yl]oxolane
Furan, 2,2′-(1-methylethylidene)bis[tetrahydro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	FZLHAQMQWDDWFI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C11H20O2/c1-11(2,9-5-3-7-12-9)10-6-4-8-13-10/h9-10H,3-8H2,1-2H3
IUPAC name chemrof:IUPAC_name	2,2-Bis(2-oxolanyl)propane
Molecular formula chemrof:molecular_formula	C11H20O2
Molecular mass chemrof:molecular_mass	184.279
Monoisotopic mass chemrof:monoisotopic_mass	184.14633
SMILES string chemrof:smiles_string	CC(C)(C1CCCO1)C1CCCO1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=89686-69-1	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.131.813	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID10869029	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J211.547F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/551484	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q5283645	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
6f45c76e-6a50-4d29-8585-41d6d8391ea4	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
7d3dba5e-12a9-446a-bf6b-acc95f3d2495	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
3f6e209c-1552-4887-9096-ff5be83fd5a4	Environmental → Air → Indoor	EF 3.1	kg	4
b77d7853-ecd3-4b5f-a1e2-a34da06c222a	Environmental → Air → Long-term	EF 3.1	kg	0
5dc23efc-c1d2-4adf-adf5-d299061615d9	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
e14704b5-ada1-4988-857d-a25698e87a16	Environmental → Air → Unknown	EF 3.1	kg	4
704d8448-2e92-4084-8bd0-9ec94e5f3f27	Environmental → Ground → Agricultural	EF 3.1	kg	4
cc58bb00-f548-4fb0-aa98-e70dd2b16016	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
3b225986-cafc-46a3-93df-bde96358e69c	Environmental → Ground → Unknown	EF 3.1	kg	4
f1d0ef2c-5a03-400b-8483-45eca0182628	Environmental → Water → Long-term	EF 3.1	kg	0
dd901018-c312-4229-99bf-d3cb9901db6a	Environmental → Water → Ocean	EF 3.1	kg	4
3df454dd-405c-4c6d-b88a-71e338bfe0c3	Environmental → Water → Surface water	EF 3.1	kg	4
23102003-045b-4888-a3b5-5d26a202226b	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-5f1daf751113906a",
  "prefLabel": [
    {
      "@value": "2,2-di(tetrahydrofuryl)propane/nor/n2,2'-propane-2,2-diylditetrahydrofuran",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2-Bis(2-oxolanyl)propane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:89686-69-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=89686-69-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Bis(2-tetrahydrofuryl)propane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:89686-69-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=89686-69-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Di(2-tetrahydrofuranyl)propane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:89686-69-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=89686-69-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Di(2-tetrahydrofuryl)propane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:89686-69-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=89686-69-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Ditetrahydrofurylpropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:89686-69-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=89686-69-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-(1-Methylethylidene)bis[tetrahydrofuran]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:89686-69-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=89686-69-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-Isopropylidenebis(tetrahydrofuran)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:89686-69-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=89686-69-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-[2-(Oxolan-2-yl)propan-2-yl]oxolane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:89686-69-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=89686-69-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Furan, 2,2′-(1-methylethylidene)bis[tetrahydro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:89686-69-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=89686-69-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H20O2"
      ],
      "attested_by": {
        "C11H20O2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:551484"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(C)(C1CCCO1)C1CCCO1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FZLHAQMQWDDWFI-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "FZLHAQMQWDDWFI-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:551484"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(C)(C1CCCO1)C1CCCO1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)(C1CCCO1)C1CCCO1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "2,2-Bis(2-oxolanyl)propane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(C)(C1CCCO1)C1CCCO1"
          ]
        }
      ],
      "attested_by": {
        "CC(C)(C1CCCO1)C1CCCO1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C11H20O2/c1-11(2,9-5-3-7-12-9)10-6-4-8-13-10/h9-10H,3-8H2,1-2H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "2,2-Bis(2-oxolanyl)propane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(C)(C1CCCO1)C1CCCO1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C11H20O2/c1-11(2,9-5-3-7-12-9)10-6-4-8-13-10/h9-10H,3-8H2,1-2H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,2-Bis(2-oxolanyl)propane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "2,2-Bis(2-oxolanyl)propane"
        ]
      },
      "attested_by": {
        "2,2-Bis(2-oxolanyl)propane": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        184.279
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(C)(C1CCCO1)C2CCCO2"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(C)(C1CCCO1)C1CCCO1"
          ]
        }
      ],
      "attested_by": {
        "184.279": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        184.14633
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(C)(C1CCCO1)C2CCCO2"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(C)(C1CCCO1)C1CCCO1"
          ]
        }
      ],
      "attested_by": {
        "184.14633": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J211.547F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:551484;CAS:89686-69-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89686-69-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.131.813",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:551484;CAS:89686-69-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89686-69-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=89686-69-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:551484;CAS:89686-69-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89686-69-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID10869029",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:551484;CAS:89686-69-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89686-69-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/551484",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:551484;CAS:89686-69-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[89686-69-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q5283645",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:551484;CAS:89686-69-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89686-69-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "23102003-045b-4888-a3b5-5d26a202226b",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "89686-69-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=89686-69-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=89686-69-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "700-263-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=700-263-8"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

2,2-di(tetrahydrofuryl)propane/nor/n2,2'-propane-2,2-diylditetrahydrofuran

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard