Consensus flow list

Identity

Type
Neutral molecule
CAS
37859-55-5
EC
484-460-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for O,o',o''-(methylsilylidyne)trioxime 2-pentanone

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZCJXKKWHDIBGPE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H33N3O3Si/c1-8-11-14(4)17-20-23(7,21-18-15(5)12-9-2)22-19-16(6)13-10-3/h8-13H2,1-7H3
IUPAC name chemrof:IUPAC_name N-[methyl-bis[(1-methylbutylideneamino)oxy]silyl]oxypentan-2-imine, N-[methyl-bis[(pentan-2-ylideneamino)oxy]silyl]oxy-2-pentanimine, N-[methyl-bis[(pentan-2-ylideneamino)oxy]silyl]oxypentan-2-imine, [methyl-bis[(1-methylbutylideneamino)oxy]silyl]oxy-(1-methylbutylidene)amine
Molecular formula chemrof:molecular_formula C16H33N3O3Si
Molecular mass chemrof:molecular_mass 343.544
Monoisotopic mass chemrof:monoisotopic_mass 343.229118
SMILES string chemrof:smiles_string CCCC(=NO[Si](C)(ON=C(C)CCC)ON=C(C)CCC)C

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=37859-55-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.105.459 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID701015697 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87196285 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
5ded8a29-600e-43b9-8505-c75e6869e2c7 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5cba9fe1-de03-47bc-bd48-9c3bad0f1591 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
85d2a295-a411-463b-bcad-15544a18ad7b Environmental → Air → Indoor EF 3.1 kg 4
3b9452e2-3805-4bdb-a989-d288ad199c2c Environmental → Air → Long-term EF 3.1 kg 0
86b299ba-4305-404c-8a79-388b9526b546 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
91708f0d-bea8-41d1-9ce4-7eaf430c1a79 Environmental → Air → Unknown EF 3.1 kg 4
2ae63444-17d4-4466-b772-7f57b626ba7e Environmental → Ground → Agricultural EF 3.1 kg 4
4f5f28a2-86fe-41ee-8a7f-c42ace592f84 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2dbf0ea6-4f08-4e5d-86f4-f4f3ab93c512 Environmental → Ground → Unknown EF 3.1 kg 4
91dc82b1-c422-4631-b741-c26edd477567 Environmental → Water → Long-term EF 3.1 kg 0
b237b883-3477-4e13-9fb9-4faff2cf88a9 Environmental → Water → Ocean EF 3.1 kg 4
31e0f9ff-c0ca-4e2f-84ef-94d352dae6a4 Environmental → Water → Surface water EF 3.1 kg 4
4eb50171-51be-4d77-8734-9dc1b7623a5d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7857e277026741e4",
  "prefLabel": [
    {
      "@value": "O,o',o''-(methylsilylidyne)trioxime 2-pentanone",
      "@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-Pentanone, 2,2′,2′′-[O,O′,O′′-(methylsilylidyne)trioxime]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:37859-55-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=37859-55-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Pentanone, O,O′,O′′-(methylsilylidyne)trioxime",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:37859-55-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=37859-55-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl tris(n-propylmethylketoxime) silane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyltris(2-pentanonoximo)silane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyltris(methylpropylketoxime)silane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  "properties": {
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        "C16H33N3O3Si"
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    },
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        "ZCJXKKWHDIBGPE-UHFFFAOYSA-N"
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    },
    "https://w3id.org/chemrof/smiles_string": {
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        {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
        "InChI=1S/C16H33N3O3Si/c1-8-11-14(4)17-20-23(7,21-18-15(5)12-9-2)22-19-16(6)13-10-3/h8-13H2,1-7H3"
      ],
      "attested_by": {
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      "rdfs:label": "InChI",
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        },
        {
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          "prov:hadPrimarySource": [
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      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "N-[methyl-bis[(1-methylbutylideneamino)oxy]silyl]oxypentan-2-imine",
        "N-[methyl-bis[(pentan-2-ylideneamino)oxy]silyl]oxy-2-pentanimine",
        "N-[methyl-bis[(pentan-2-ylideneamino)oxy]silyl]oxypentan-2-imine",
        "[methyl-bis[(1-methylbutylideneamino)oxy]silyl]oxy-(1-methylbutylidene)amine"
      ],
      "attested_by": {
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        "N-[methyl-bis[(pentan-2-ylideneamino)oxy]silyl]oxy-2-pentanimine": [
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        ],
        "N-[methyl-bis[(pentan-2-ylideneamino)oxy]silyl]oxypentan-2-imine": [
          "enrich_references.pubchem_semantic"
        ],
        "[methyl-bis[(1-methylbutylideneamino)oxy]silyl]oxy-(1-methylbutylidene)amine": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      "provenance": [
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        },
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      "attested_by": {
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      },
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    },
    "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": {
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      },
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  },
  "references": [
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  "created_from": {
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    "seed_uuid": "2ae63444-17d4-4466-b772-7f57b626ba7e",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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