Summary

IMPPAT Phytochemical identifier: IMPHY015841

Phytochemical name: Methyl pivalate

Synonymous chemical names:
methyl pivalate

External chemical identifiers:
CID:69027, ChEMBL:CHEMBL32422, ZINC:ZINC000000391896, FDASRS:BFX9W386OX, SureChEMBL:SCHEMBL15139, MolPort-000-157-639

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Chemical structure information

SMILES:
COC(=O)C(C)(C)C

InChI:
InChI=1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3

InChIKey:
CNMFHDIDIMZHKY-UHFFFAOYSA-N

DeepSMILES:
COC=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: -0.082

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Chemical structure download