Summary

IMPPAT Phytochemical identifier: IMPHY013851

Phytochemical name: Pentyl 3-methylbutanoate

Synonymous chemical names:
amyl isovalerate, n-amyl isovalerate, n-amylisovalerate, pentyl isovalerate

External chemical identifiers:
CID:95978, ChEBI:89724, ZINC:ZINC000001677780, SureChEMBL:SCHEMBL1774027, MolPort-003-938-993

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Chemical structure information

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

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

InChIKey:
QURFFFCYNQXLCU-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: 0.386

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Chemical structure download