Summary

IMPPAT Phytochemical identifier: IMPHY001938

Phytochemical name: 2-Methylbutyl formate

Synonymous chemical names:
2-methylbutyl-formate

External chemical identifiers:
CID:118210, FDASRS:F3Y2X3CLO3, SureChEMBL:SCHEMBL27665

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Chemical structure information

SMILES:
CC(CC)COC=O

InChI:
InChI=1S/C6H12O2/c1-3-6(2)4-8-5-7/h5-6H,3-4H2,1-2H3

InChIKey:
DWORILFBIRYUDC-UHFFFAOYSA-N

DeepSMILES:
CCCC))COC=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: 1.225

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Chemical structure download