Summary

IMPPAT Phytochemical identifier: IMPHY008597

Phytochemical name: Nonyl acetate

Synonymous chemical names:
n-nonyl acetate, nonyl acetate

External chemical identifiers:
CID:8918, ChEMBL:CHEMBL2228457, ChEBI:87511, ZINC:ZINC000001631228, FDASRS:M2SE618B1L, SureChEMBL:SCHEMBL115437, MolPort-003-909-621

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Chemical structure information

SMILES:
CCCCCCCCCOC(=O)C

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

InChIKey:
GJQIMXVRFNLMTB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCOC=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: 0.574

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Chemical structure download