Summary

IMPPAT Phytochemical identifier: IMPHY003540

Phytochemical name: Ethyl 4-acetoxybutanoate

Synonymous chemical names:
ethyl 4-acetoxybutanoate

External chemical identifiers:
CID:4340980, ZINC:ZINC000002562373, SureChEMBL:SCHEMBL1594363

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Chemical structure information

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

InChI:
InChI=1S/C8H14O4/c1-3-11-8(10)5-4-6-12-7(2)9/h3-6H2,1-2H3

InChIKey:
KMPQIYXXLIFPKA-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)CCCOC=O)C

Functional groups:
COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.27

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Chemical structure download