Summary

IMPPAT Phytochemical identifier: IMPHY007254

Phytochemical name: 1-Octene

Synonymous chemical names:
1 octene, 1- octene, 1-octene, oct-1-ene, octene

External chemical identifiers:
CID:8125, ChEMBL:CHEMBL1376677, ChEBI:46708, ZINC:ZINC000001586749, FDASRS:E5VK21B9RC, SureChEMBL:SCHEMBL15827, MolPort-001-756-620

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Chemical structure information

SMILES:
CCCCCCC=C

InChI:
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3

InChIKey:
KWKAKUADMBZCLK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC=C

Functional groups:
C=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: 1.27

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Chemical structure download