Summary

IMPPAT Phytochemical identifier: IMPHY015612

Phytochemical name: Diethyl carbonate

Synonymous chemical names:
dicthyl carbonate, diethyl carbonate

External chemical identifiers:
CID:7766, ChEMBL:CHEMBL1533495, ChEBI:173463, ZINC:ZINC000000388482, FDASRS:3UA92692HG, SureChEMBL:SCHEMBL3673, MolPort-001-785-552

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Chemical structure information

SMILES:
CCOC(=O)OCC

InChI:
InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3

InChIKey:
OIFBSDVPJOWBCH-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)OCC

Functional groups:
COC(=O)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Organic carbonic acids and derivatives

ClassyFire Subclass: Carbonic acid diesters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: -0.249

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Chemical structure download