Summary

IMPPAT Phytochemical identifier: IMPHY011047

Phytochemical name: 9-Decenyl acetate

Synonymous chemical names:
9-decen-1-yl acetate, 9-decenyl acetate

External chemical identifiers:
CID:39801, ChEMBL:CHEMBL3185404, ZINC:ZINC000002005649, FDASRS:I999R8F793, SureChEMBL:SCHEMBL585734

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Chemical structure information

SMILES:
C=CCCCCCCCCOC(=O)C

InChI:
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3H,1,4-11H2,2H3

InChIKey:
PIQXMYAEJSMANF-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCCCOC=O)C

Functional groups:
C=CC, 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: 0.994

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Chemical structure download