Summary

IMPPAT Phytochemical identifier: IMPHY015853

Phytochemical name: Butyl formate

Synonymous chemical names:
butyl formate, n-butyl formate

External chemical identifiers:
CID:11614, ChEMBL:CHEMBL2270394, ChEBI:88514, ZINC:ZINC000001867147, FDASRS:0Y9MZ7VM9P, SureChEMBL:SCHEMBL5847, MolPort-001-783-799

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Chemical structure information

SMILES:
CCCCOC=O

InChI:
InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3

InChIKey:
NMJJFJNHVMGPGM-UHFFFAOYSA-N

DeepSMILES:
CCCCOC=O

Functional groups:
COC=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: 0.76

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Chemical structure download