Summary

IMPPAT Phytochemical identifier: IMPHY017583

Phytochemical name: trans-3-Octene

Synonymous chemical names:
(e)-3-octene

External chemical identifiers:
CID:638228, ChEBI:88863, ZINC:ZINC000001615751, FDASRS:2A4P9KO860, SureChEMBL:SCHEMBL55769

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Chemical structure information

SMILES:
CCCC/C=C/CC

InChI:
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+

InChIKey:
YCTDZYMMFQCTEO-FNORWQNLSA-N

DeepSMILES:
CCCC/C=C/CC

Functional groups:
C/C=C/C

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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: 1.996

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Chemical structure download