Summary

IMPPAT Phytochemical identifier: IMPHY015668

Phytochemical name: Ethyl nonanoate

Synonymous chemical names:
ethyl nonanoate

External chemical identifiers:
CID:31251, ChEMBL:CHEMBL3187336, ChEBI:87501, ZINC:ZINC000001648317, FDASRS:KSH683S98J, SureChEMBL:SCHEMBL5533, MolPort-003-925-939

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Chemical structure information

SMILES:
CCCCCCCCC(=O)OCC

InChI:
InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3

InChIKey:
BYEVBITUADOIGY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O)OCC

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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.187

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Chemical structure download