Summary

IMPPAT Phytochemical identifier: IMPHY015346

Phytochemical name: 3-Methyl-2-octene

Synonymous chemical names:
3-methyl-2-octene

External chemical identifiers:
CID:5463609, SureChEMBL:SCHEMBL546953

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Chemical structure information

SMILES:
CCCCC/C(=C/C)/C

InChI:
InChI=1S/C9H18/c1-4-6-7-8-9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5+

InChIKey:
VOKPUAYTTWEUPZ-WEVVVXLNSA-N

DeepSMILES:
CCCCC/C=C/C))/C

Functional groups:
C/C=C(/C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.805

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Chemical structure download