Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003492

Phytochemical name: 1-Octadecene

Synonymous chemical names:
octadecene, 1-octadecene, octadec-1-ene, 1-Octadecene, 1octadecene, Octadec-1-ene

External chemical identifiers:
CID:CID_8217, ChEMBL:CHEMBL3187417, ChEBI:CHEBI:30824, ZINC:ZINC000059696736, FDASRS:H5ZUQ6V4AK, SureChEMBL:SCHEMBL18904, MolPort-001-787-058

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC=C

InChI:
InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3

InChIKey:
CCCMONHAUSKTEQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC=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: 0.565

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Chemical structure download