Summary

IMPPAT Phytochemical identifier: IMPHY015910

Phytochemical name: Propyl pivalate

Synonymous chemical names:
propyl 2,2-dimethylpropanoate

External chemical identifiers:
CID:138418, ZINC:ZINC000002569242, SureChEMBL:SCHEMBL204763, MolPort-015-062-188

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Chemical structure information

SMILES:
CCCOC(=O)C(C)(C)C

InChI:
InChI=1S/C8H16O2/c1-5-6-10-7(9)8(2,3)4/h5-6H2,1-4H3

InChIKey:
QMKUYPGVVVLYSR-UHFFFAOYSA-N

DeepSMILES:
CCCOC=O)CC)C)C

Functional groups:
COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: -0.303

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Chemical structure download