Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000105

Phytochemical name: Decyl acetate

Synonymous chemical names:
n-decyl acetate, Decyl acetate, decyl-acetate, acetic acid decyl ester, decyl acetate, decylacetate

External chemical identifiers:
CID:CID_8167, ChEMBL:CHEMBL2228458, ZINC:ZINC000001677799, FDASRS:VNW56K9DYT, SureChEMBL:SCHEMBL155855, MolPort-003-909-532

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Chemical structure information

SMILES:
CCCCCCCCCCOC(=O)C

InChI:
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3

InChIKey:
NUPSHWCALHZGOV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCOC=O)C

Functional groups:
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: 0.533

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Chemical structure download