Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002176

Phytochemical name: 1-Octene

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

External chemical identifiers:
CID:CID_8125, ChEMBL:CHEMBL1376677, ChEBI:CHEBI:46708, ZINC:ZINC000001586749, FDASRS:E5VK21B9RC, SureChEMBL:SCHEMBL15827, MolPort-001-756-620

---

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

---

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

---

Chemical structure download