Consensus flow list

Identity

Type
NeutralMolecule
CAS
927395-20-8
EC
485-260-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-oxa-7-thia-3,8-disiladecane, 3-methoxy-3,8,8,9,9-pentamethyl-

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string APSWPUQBZTULCI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H30O2SSi2/c1-12(2,3)16(6,7)15-10-9-11-17(8,13-4)14-5/h9-11H2,1-8H3
IUPAC name chemrof:IUPAC_name 2-oxa-7-thia-3,8-disiladecane, 3-methoxy-3,8,8,9,9-pentamethyl-
Molecular formula chemrof:molecular_formula C12H30O2SSi2
Molecular mass chemrof:molecular_mass 294.609
Monoisotopic mass chemrof:monoisotopic_mass 294.150504
SMILES string chemrof:smiles_string CO[Si](C)(CCCS[Si](C)(C)C(C)(C)C)OC

Known URLs

4

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=927395-20-8 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID201019913 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87161845 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126682791 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
87f52d92-10d4-42df-b017-9b5def52eb2e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
113eeb17-7d34-4c7a-bd67-170469f04404 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f9cd297e-497f-4283-b87d-e5758d4cb952 Environmental → Air → Indoor EF 3.1 kg 2
a59504f4-c863-4ef4-affd-c02a7bd7a284 Environmental → Air → Long-term EF 3.1 kg 0
64da3fcf-e6c2-4119-928d-1e8c13132227 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c7d31956-cbfc-4710-8365-fead1ac00806 Environmental → Air → Unknown EF 3.1 kg 2
40ed905d-3640-4f33-af05-81f369e50d0a Environmental → Ground → Agricultural EF 3.1 kg 2
2bc13d5e-7899-4f32-a7c0-7a7d6b63c5f3 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e75cf282-81af-4d9a-99db-33aec13bf608 Environmental → Ground → Unknown EF 3.1 kg 2
0142e723-e198-4322-9e13-5c3b6e1b60be Environmental → Water → Long-term EF 3.1 kg 0
0f06e8d2-05e6-422d-ad6c-39aeb1a0a54d Environmental → Water → Ocean EF 3.1 kg 2
48d47e6a-f1ed-49b9-a633-6fa825e22037 Environmental → Water → Surface water EF 3.1 kg 2
26b7c133-7fc0-40ac-adb8-e45ebe045ce3 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6efcbc70f2d94616",
  "prefLabel": [
    {
      "@value": "2-oxa-7-thia-3,8-disiladecane, 3-methoxy-3,8,8,9,9-pentamethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-(tert-Butyldimethylsilylthio)propyldimethoxymethylsilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=927395-20-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methoxy-3,8,8,9,9-pentamethyl-2-oxa-7-thia-3,8-disiladecane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=927395-20-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[3-(tert-Butyldimethylsilylthio)propyl](methyl)dimethoxysilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C12H30O2SSi2"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      ],
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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          ]
        },
        {
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
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      ],
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          ]
        },
        {
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          ]
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      ],
      "attested_by": {
        "InChI=1S/C12H30O2SSi2/c1-12(2,3)16(6,7)15-10-9-11-17(8,13-4)14-5/h9-11H2,1-8H3": [
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2-oxa-7-thia-3,8-disiladecane, 3-methoxy-3,8,8,9,9-pentamethyl-"
      ],
      "provenance": {
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        "prov:hadPrimarySource": [
          "2-oxa-7-thia-3,8-disiladecane, 3-methoxy-3,8,8,9,9-pentamethyl-"
        ]
      },
      "attested_by": {
        "2-oxa-7-thia-3,8-disiladecane, 3-methoxy-3,8,8,9,9-pentamethyl-": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CO[Si](C)(CCCS[Si](C)(C)C(C)(C)C)OC"
          ]
        }
      ],
      "attested_by": {
        "294.609": [
          "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": [
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      ],
      "provenance": [
        {
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          ]
        }
      ],
      "attested_by": {
        "294.150504": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
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  },
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0142e723-e198-4322-9e13-5c3b6e1b60be",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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      }
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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