Summary

IMPPAT Phytochemical identifier: IMPHY017045

Phytochemical name: 2-Methylnonyl ethanoate

Synonymous chemical names:
2-methylnonyl acetate

External chemical identifiers:
CID:129658968

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Chemical structure information

SMILES:
CCCCCCCC(COC(=O)C)C

InChI:
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-11(2)10-14-12(3)13/h11H,4-10H2,1-3H3

InChIKey:
YOLQEBXEBREFHW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCOC=O)C))))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: 1.175

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Chemical structure download