Consensus flow list

Identity

Type
Neutral molecule
CAS
1052075-57-6
EC
801-072-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 7,7,9,9,11,11,13,13,15,15-decamethyl-3,8,10,12,14-pentaoxa-7,9,11,13,15-pentasilanonadecan-1-yl 2-methylprop-2-enoate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NEWDMEQZRLPOKM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C23H54O7Si5/c1-14-15-20-31(4,5)27-33(8,9)29-35(12,13)30-34(10,11)28-32(6,7)21-16-17-25-18-19-26-23(24)22(2)3/h2,14-21H2,1,3-13H3
IUPAC name chemrof:IUPAC_name 7,7,9,9,11,11,13,13,15,15-decamethyl-3,8,10,12,14-pentaoxa-7,9,11,13,15-pentasilanonadecan-1-yl 2-methylprop-2-enoate
Molecular formula chemrof:molecular_formula C23H54O7Si5
Molecular mass chemrof:molecular_mass 583.108
Monoisotopic mass chemrof:monoisotopic_mass 582.271587
SMILES string chemrof:smiles_string C=C(C)C(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC

Known URLs

7

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=1052075-57-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.227.650 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40893655 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/995FZ7U248 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.040.563C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86278707 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81987730 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7cc53697-6ad5-43d9-aa67-f84f6e765cf5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
901e87a0-eda7-4cd1-8b3d-d2f2b9955c36 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
80d2ec83-6e97-4b25-abb5-218c5476e34e Environmental → Air → Indoor EF 3.1 kg 2
d80855db-a180-486a-ad57-04cd285478ea Environmental → Air → Long-term EF 3.1 kg 0
ef7b74b3-f98c-45ed-a65b-2c87e947c2d5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
cfb9d7c1-7958-4aab-882f-a2fbd6e3837a Environmental → Air → Unknown EF 3.1 kg 2
23605f70-0155-40cb-af6f-d39e7ce62b09 Environmental → Ground → Agricultural EF 3.1 kg 2
5f8bfbfc-c642-46f4-a515-8ff5d8dbada4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
21401c97-1edb-4cb9-93aa-7bd3f8ac11d5 Environmental → Ground → Unknown EF 3.1 kg 2
b5e246f9-a046-4722-88b2-48e6e0b9c12f Environmental → Water → Long-term EF 3.1 kg 0
b2facd42-c120-400f-ae00-ef77dde3bbc6 Environmental → Water → Ocean EF 3.1 kg 2
a35cd1f5-ee9f-43cb-b5d3-c3f3e3ccdc3a Environmental → Water → Surface water EF 3.1 kg 2
439efd4f-a8fa-4575-9235-fedd29c16fae Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-73ecd374614e24f6",
  "prefLabel": [
    {
      "@value": "7,7,9,9,11,11,13,13,15,15-decamethyl-3,8,10,12,14-pentaoxa-7,9,11,13,15-pentasilanonadecan-1-yl 2-methylprop-2-enoate",
      "@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-[3-(9-Butyl-1,1,3,3,5,5,7,7,9,9-decamethyl-1-pentasiloxanyl)propoxy]ethyl 2-methyl-2-propenoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1052075-57-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1052075-57-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenoic acid, 2-methyl-, 2-[3-(9-butyl-1,1,3,3,5,5,7,7,9,9-decamethyl-1-pentasiloxanyl)propoxy]ethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1052075-57-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "X 22-1622",
      "@language": "en",
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      }
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  ],
  "properties": {
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      "@value": [
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      ],
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        ]
      },
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      "provenance": [
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        }
      ]
    },
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    "https://w3id.org/chemrof/smiles_string": {
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      ],
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        },
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          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C23H54O7Si5/c1-14-15-20-31(4,5)27-33(8,9)29-35(12,13)30-34(10,11)28-32(6,7)21-16-17-25-18-19-26-23(24)22(2)3/h2,14-21H2,1,3-13H3": [
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    },
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      ],
      "provenance": {
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        ]
      },
      "attested_by": {
        "7,7,9,9,11,11,13,13,15,15-decamethyl-3,8,10,12,14-pentaoxa-7,9,11,13,15-pentasilanonadecan-1-yl 2-methylprop-2-enoate": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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      "provenance": [
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          ]
        },
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      ],
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    },
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      "@value": [
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      ],
      "provenance": [
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          ]
        },
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          ]
        }
      ],
      "attested_by": {
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      },
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  },
  "references": [
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    "semantic_typing": {
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}

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