Summary

IMPPAT Phytochemical identifier: IMPHY017065

Phytochemical name: Octadecyl vinyl ether

Synonymous chemical names:
octadecane,1-(ethenyloxy)-

External chemical identifiers:
CID:13585, ZINC:ZINC000086050978, FDASRS:15102HDV20, SureChEMBL:SCHEMBL36065, MolPort-003-932-812

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCOC=C

InChI:
InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4H,2-3,5-20H2,1H3

InChIKey:
QJJDJWUCRAPCOL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCOC=C

Functional groups:
C=COC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.203

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Chemical structure download