Tetrahydro-2,2,5,5-tetramethylfuran

2,2,5,5-Tetramethyloxolane
2,2,5,5-Tetramethyltetrahydrofuran
Furan, tetrahydro-2,2,5,5-tetramethyl-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	BBLDTXFLAHKYFJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3
IUPAC name chemrof:IUPAC_name	Tetrahydro-2,2,5,5-tetramethylfuran
Molecular formula chemrof:molecular_formula	C8H16O
Molecular mass chemrof:molecular_mass	128.215
Monoisotopic mass chemrof:monoisotopic_mass	128.120115
SMILES string chemrof:smiles_string	CC1(C)CCC(C)(C)O1

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=15045-43-9	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:210533	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.035.547	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID1022263	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/83Z08D4U0T	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J37.037A	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=109457	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/27010	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q25323734	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/2,2,5,5-Tetramethyltetrahydrofuran	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
9c54f048-9ac6-4e69-bbca-f854fd3bc214	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
3c3b8a4a-47a0-4f8f-b6a3-e9e59e3b56e1	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
c66221f5-74ef-4099-b0ac-d46976045ad8	Environmental → Air → Indoor	EF 3.1	kg	2
01118996-0aa5-4821-adbd-debd22db5798	Environmental → Air → Long-term	EF 3.1	kg	0
bd87f7e7-d402-41d0-acb9-dc979c57b241	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
f75f74ee-cc4f-478e-89a8-d398e60acc97	Environmental → Air → Unknown	EF 3.1	kg	2
d267106f-dc3d-491a-a184-f8bac914d179	Environmental → Ground → Agricultural	EF 3.1	kg	2
ae1efeed-6ae0-4ac6-8d5d-47e0f5525b0b	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
99f8ee07-4373-42d4-8720-7c19b73b9d1a	Environmental → Ground → Unknown	EF 3.1	kg	2
0289a7c9-5d00-4c87-b62d-43457d9aa929	Environmental → Water → Long-term	EF 3.1	kg	0
eae7b90e-c640-43df-8c22-5ed31e4440b5	Environmental → Water → Ocean	EF 3.1	kg	2
5b98177d-e0fb-4c07-bbb9-e84759d74426	Environmental → Water → Surface water	EF 3.1	kg	2
7a725f94-1684-414a-90e3-860a3c0adcca	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-ed11bb33fd4ed50a",
  "prefLabel": [
    {
      "@value": "Tetrahydro-2,2,5,5-tetramethylfuran",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2,5,5-Tetramethyloxolane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15045-43-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15045-43-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,5,5-Tetramethyltetrahydrofuran",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15045-43-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15045-43-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Furan, tetrahydro-2,2,5,5-tetramethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15045-43-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15045-43-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H16O"
      ],
      "attested_by": {
        "C8H16O": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:27010"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CCC(C)(C)O1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BBLDTXFLAHKYFJ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "BBLDTXFLAHKYFJ-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:27010"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CCC(C)(C)O1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC1(C)CCC(C)(C)O1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Tetrahydro-2,2,5,5-tetramethylfuran"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CCC(C)(C)O1"
          ]
        }
      ],
      "attested_by": {
        "CC1(C)CCC(C)(C)O1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Tetrahydro-2,2,5,5-tetramethylfuran"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CCC(C)(C)O1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Tetrahydro-2,2,5,5-tetramethylfuran"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Tetrahydro-2,2,5,5-tetramethylfuran"
        ]
      },
      "attested_by": {
        "Tetrahydro-2,2,5,5-tetramethylfuran": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        128.215
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(CCC(O1)(C)C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CCC(C)(C)O1"
          ]
        }
      ],
      "attested_by": {
        "128.215": [
          "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": [
        128.120115
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(CCC(O1)(C)C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CCC(C)(C)O1"
          ]
        }
      ],
      "attested_by": {
        "128.120115": [
          "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=J37.037A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:27010;CAS:15045-43-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15045-43-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.035.547",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:27010;CAS:15045-43-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15045-43-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=15045-43-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:27010;CAS:15045-43-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15045-43-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID1022263",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:27010;CAS:15045-43-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15045-43-9]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/2,2,5,5-Tetramethyltetrahydrofuran",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:27010;CAS:15045-43-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15045-43-9]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/83Z08D4U0T",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:27010;CAS:15045-43-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15045-43-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/27010",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:27010;CAS:15045-43-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[15045-43-9]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:210533",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:27010;CAS:15045-43-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15045-43-9]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=109457",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:27010;CAS:15045-43-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15045-43-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q25323734",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:27010;CAS:15045-43-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15045-43-9]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "01118996-0aa5-4821-adbd-debd22db5798",
    "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": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "15045-43-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=15045-43-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=15045-43-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "239-117-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=239-117-9"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "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"
  ]
}

Tetrahydro-2,2,5,5-tetramethylfuran

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard