Summary

IMPPAT Phytochemical identifier: IMPHY015278

Phytochemical name: 2-Methylbutyl valerate

Synonymous chemical names:
2-methyl butyl valerate

External chemical identifiers:
CID:521666, SureChEMBL:SCHEMBL4310169

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Chemical structure information

SMILES:
CCCCC(=O)OCC(CC)C

InChI:
InChI=1S/C10H20O2/c1-4-6-7-10(11)12-8-9(3)5-2/h9H,4-8H2,1-3H3

InChIKey:
FOJKZJAPKUOYKR-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)OCCCC))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: 0.484

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Chemical structure download