Summary

IMPPAT Phytochemical identifier: IMPHY016079

Phytochemical name: (E)-3-decenyl acetate

Synonymous chemical names:
(e)-3-decenyl acetate

External chemical identifiers:
CID:5352882, ZINC:ZINC000002021937, SureChEMBL:SCHEMBL8634297

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Chemical structure information

SMILES:
CCCCCC/C=C/CCOC(=O)C

InChI:
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h8-9H,3-7,10-11H2,1-2H3/b9-8+

InChIKey:
HYSSAOQHKOCKIC-CMDGGOBGSA-N

DeepSMILES:
CCCCCC/C=C/CCOC=O)C

Functional groups:
C/C=C/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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.432

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Chemical structure download