Summary

IMPPAT Phytochemical identifier: IMPHY007252

Phytochemical name: Oct-2-ene

Synonymous chemical names:
2-octene

External chemical identifiers:
CID:8126, ChEBI:167529

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Chemical structure information

SMILES:
CCCCCC=CC

InChI:
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3

InChIKey:
ILPBINAXDRFYPL-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=CC

Functional groups:
CC=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Unsaturated aliphatic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.874

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Chemical structure download