Summary

IMPPAT Phytochemical identifier: IMPHY016875

Phytochemical name: Vinyl decanoate

Synonymous chemical names:
vinyl decanoate

External chemical identifiers:
CID:62140, ZINC:ZINC000001665025, FDASRS:FF00I399LI, SureChEMBL:SCHEMBL93391

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Chemical structure information

SMILES:
CCCCCCCCCC(=O)OC=C

InChI:
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h4H,2-3,5-11H2,1H3

InChIKey:
CMDXMIHZUJPRHG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=O)OC=C

Functional groups:
C=COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.866

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Chemical structure download