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1,3-diethyl-5-methylcyclohexane

2D structure
Flow Object IDfo-63dccf50532c1416
TypeConsensus
prefLabel
Label Language
1,3-diethyl-5-methylcyclohexane en
Changes Applied0

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow4d9a8790-3ddd-11dd-8d62-0050c2490048

Properties

Predicate Value
InChIKey PWHIZLDOMYFYEP-UHFFFAOYSA-N
InChI InChI=1S/C11H22/c1-4-10-6-9(3)7-11(5-2)8-10/h9-11H,4-8H2,1-3H3
IUPAC name 1,3-diethyl-5-methylcyclohexane
Molecular formula C11H22
Molecular mass 154.297
Monoisotopic mass 154.172151
SMILES CCC1CC(C)CC(CC)C1

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
d86bc589… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 0
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 0
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 0
4d9a8790… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 0
4d9a8790… EF 3.1 kg Environmental → Air → Unknown 0 0
d86b9e61… EF 3.1 kg Environmental → Ground → Agricultural 0 0
d86bec86… EF 3.1 kg Environmental → Ground → Unknown 0 0
d86becb2… EF 3.1 kg Environmental → Water → Ocean 0 0
d86b9e94… EF 3.1 kg Environmental → Water → Surface water 0 0
d86c3aad… EF 3.1 kg Environmental → Water → Unknown 0 0
▶

Changes Applied

No consensus changes recorded for linked elementary flows.

Flow Object JSON

{
  "flow_object_id": "fo-63dccf50532c1416",
  "prefLabel": [
    {
      "@value": "1,3-diethyl-5-methylcyclohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [],
  "properties": {
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,3-diethyl-5-methylcyclohexane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,3-diethyl-5-methylcyclohexane"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCC1CC(C)CC(CC)C1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,3-diethyl-5-methylcyclohexane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC1CC(C)CC(CC)C1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C11H22/c1-4-10-6-9(3)7-11(5-2)8-10/h9-11H,4-8H2,1-3H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,3-diethyl-5-methylcyclohexane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC1CC(C)CC(CC)C1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "PWHIZLDOMYFYEP-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCC1CC(C)CC(CC)C1"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C11H22"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCC1CC(C)CC(CC)C1"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "154.297"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCC1CC(C)CC(CC)C1"
        ]
      },
      "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": [
        "154.172151"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCC1CC(C)CC(CC)C1"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "4d9a8790-3ddd-11dd-8d62-0050c2490048",
    "seed_source": "EF 3.1"
  },
  "classifications": {},
  "origin_qualifier": null,
  "parent_flow_object_id": null
}