Summary

IMPPAT Phytochemical identifier: IMPHY015531

Phytochemical name: Butyl propionate

Synonymous chemical names:
butyl propanoate, butyl propionate

External chemical identifiers:
CID:11529, ChEMBL:CHEMBL3561586, ChEBI:89831, ZINC:ZINC000001586746, FDASRS:2NXC4AK99E, SureChEMBL:SCHEMBL26794

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Chemical structure information

SMILES:
CCCCOC(=O)CC

InChI:
InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3

InChIKey:
BTMVHUNTONAYDX-UHFFFAOYSA-N

DeepSMILES:
CCCCOC=O)CC

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: 0.13

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Chemical structure download