Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017714

Phytochemical name: Dimethyl carbonate

Synonymous chemical names:
dimethyl carbonate

External chemical identifiers:
CID:CID_12021, ChEMBL:CHEMBL3185216, ChEBI:CHEBI:36596, ZINC:ZINC000001699944, FDASRS:KE9J097SPN, SureChEMBL:SCHEMBL20796, MolPort-003-931-791

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Chemical structure information

SMILES:
COC(=O)OC

InChI:
InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3

InChIKey:
IEJIGPNLZYLLBP-UHFFFAOYSA-N

DeepSMILES:
COC=O)OC

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: 0.175

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Chemical structure download