Summary

IMPPAT Phytochemical identifier: IMPHY016643

Phytochemical name: Ethyl 2-nonynoate

Synonymous chemical names:
ethyl 2-nonynoate

External chemical identifiers:
CID:61451, ZINC:ZINC000001732441, FDASRS:853DED009T, SureChEMBL:SCHEMBL1101207

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Chemical structure information

SMILES:
CCCCCCC#CC(=O)OCC

InChI:
InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3

InChIKey:
BFZNMUGAZYAMTG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC#CC=O)OCC

Functional groups:
CC#CC(=O)OC

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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 acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.732

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Chemical structure download