Summary

IMPPAT Phytochemical identifier: IMPHY014712

Phytochemical name: 2-Octene

Synonymous chemical names:
(e)-2-octene

External chemical identifiers:
CID:5364448, ChEBI:88820, ZINC:ZINC000001693961, FDASRS:G13G1YR8YW, SureChEMBL:SCHEMBL35676

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Chemical structure information

SMILES:
CCCCC/C=C/C

InChI:
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+

InChIKey:
ILPBINAXDRFYPL-HWKANZROSA-N

DeepSMILES:
CCCCC/C=C/C

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: 1.874

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Chemical structure download