Consensus flow list

(4s)-(-)-1-methyl-4-prop-1-en-2-ylcyclohexene

fo-a7c5510e913ea95e

Identity

Type
NeutralMolecule
CAS
5989-54-8
EC
227-815-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for (4s)-(-)-1-methyl-4-prop-1-en-2-ylcyclohexene

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XMGQYMWWDOXHJM-SNVBAGLBSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C=C(C)[C@@H]1CC=C(C)CC1
IUPAC name chemrof:IUPAC_name (4s)-(-)-1-methyl-4-prop-1-en-2-ylcyclohexene
Molecular formula chemrof:molecular_formula C10H16
Molecular mass chemrof:molecular_mass 136.238
Monoisotopic mass chemrof:monoisotopic_mass 136.1252, 136.125201
SMILES string chemrof:smiles_string C=C(C)C1CC=C(C)CC1

Known URLs

19

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
beilstein beilstein:2323991 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=5989-54-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15383 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.025.286 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6047078 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL236688 enrich_references.pubchem_identifier_url
gmelin gmelin:363574 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/47MAJ1Y2NE enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0004321 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J85.992C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00521 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00521 enrich_references.pubchem_identifier_url
knapsack knapsack:C00000803 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMPR0102090002 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMPR0102090002 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=28092 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/439250 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1426777 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27089405 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c904dd3d-a20b-4341-8dd7-3498e1f34e42 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2dcf6244-370d-48b1-92fb-af8ebe4f5546 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4bfe3865-7573-4ce2-983d-283da7eddb02 Environmental → Air → Indoor EF 3.1 kg 4
3f4dff06-286a-4687-9960-bfa9586650c1 Environmental → Air → Long-term EF 3.1 kg 0
42061ddf-a457-4036-9fc5-b2454c8539d7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f097dfa6-1fee-4538-8e6e-87db42a6ae9d Environmental → Air → Unknown EF 3.1 kg 4
51ad9cd3-dbab-4a4e-a21e-efa58b55de35 Environmental → Ground → Agricultural EF 3.1 kg 4
3a2355a1-fac6-4740-a245-d69150115799 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e477b87f-2edc-4ce3-a55d-fa11f3f7e4fb Environmental → Ground → Unknown EF 3.1 kg 4
d7d43234-fdc2-4644-89d2-1aa61c827157 Environmental → Water → Long-term EF 3.1 kg 0
30e9787e-0015-47d3-8f02-a249c96b1af7 Environmental → Water → Ocean EF 3.1 kg 4
83886983-94de-4152-9e1c-ae419e708d81 Environmental → Water → Surface water EF 3.1 kg 4
a251fe1c-dd5d-46f8-9c29-993954f0297e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-a7c5510e913ea95e",
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    },
    {
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    {
      "@value": "(4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene",
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    {
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    },
    {
      "@value": "(4S)-4-isopropenyl-1-methylcyclohexene",
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    {
      "@value": "(S)-4-Isopropenyl-1-methyl-1-cyclohexene",
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    },
    {
      "@value": "l-Carvene",
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    },
    {
      "@value": "p-Mentha-1,8-diene, (S)-(-)-",
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    },
    {
      "@value": "β-Limonene",
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  "properties": {
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