Summary

IMPPAT Phytochemical identifier: IMPHY010596

Phytochemical name: 1-Methyloctyl acetate

Synonymous chemical names:
2-nonyl acetate, 2-nonyl-acetate

External chemical identifiers:
CID:85788, SureChEMBL:SCHEMBL1301932, MolPort-006-121-272

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Chemical structure information

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

InChI:
InChI=1S/C11H22O2/c1-4-5-6-7-8-9-10(2)13-11(3)12/h10H,4-9H2,1-3H3

InChIKey:
GSUGVJOUDSLEBL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCOC=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: 1.102

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Chemical structure download