Summary

IMPPAT Phytochemical identifier: IMPHY016276

Phytochemical name: 2-Methyloctyl acetate

Synonymous chemical names:
2-methyloctyl acetate

External chemical identifiers:
CID:17785347, SureChEMBL:SCHEMBL4585164

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Chemical structure information

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

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

InChIKey:
FERMSPAGNQMECU-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: 1.266

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Chemical structure download