Summary

IMPPAT Phytochemical identifier: IMPHY009868

Phytochemical name: 4-Methylpentyl 2-methylbutanoate

Synonymous chemical names:
4-methylpentyl-2-methylbutyrate

External chemical identifiers:
CID:85790712

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Chemical structure information

SMILES:
CCC(C(=O)OCCCC(C)C)C

InChI:
InChI=1S/C11H22O2/c1-5-10(4)11(12)13-8-6-7-9(2)3/h9-10H,5-8H2,1-4H3

InChIKey:
RMXBPCDIHPZCQB-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)OCCCCC)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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.774

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Chemical structure download