Summary

IMPPAT Phytochemical identifier: IMPHY015884

Phytochemical name: Pentyl 2-methylbutyrate

Synonymous chemical names:
amyl 2-methylbutyrate, pentyl 2-methylbutanoate, pentyl 2-methylbutyrate

External chemical identifiers:
CID:107059, SureChEMBL:SCHEMBL2418446

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Chemical structure information

SMILES:
CCCCCOC(=O)C(CC)C

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

InChIKey:
RHNBXPIJLXBHMF-UHFFFAOYSA-N

DeepSMILES:
CCCCCOC=O)CCC))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: 0.599

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Chemical structure download