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CHEBI:87278 - ethyl 2-phenylethyl dimethylmalonate

ChEBI IDCHEBI:87278
ChEBI Nameethyl 2-phenylethyl dimethylmalonate
Stars
DefinitionA dieter obtained by the formal condensation of the two carboxy groups of dimethylmalonic acid with ethanol and 2-phenylethanol respectively.
Last Modified16 May 2016
Submitternamrata
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESCCOC(=O)C(C)(C)C(=O)OCCc1ccccc1
InChIInChI=1S/C15H20O4/c1-4-18-13(16)15(2,3)14(17)19-11-10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
InChIKeyFEOPIDQCBSIXGZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ethyl 2-phenylethyl dimethylmalonate (CHEBI:87278) has functional parent 2-phenylethanol (CHEBI:49000)
ethyl 2-phenylethyl dimethylmalonate (CHEBI:87278) has functional parent ethanol (CHEBI:16236)
ethyl 2-phenylethyl dimethylmalonate (CHEBI:87278) has role metabolite (CHEBI:25212)
ethyl 2-phenylethyl dimethylmalonate (CHEBI:87278) is a dicarboxylic acids and O-substituted derivatives (CHEBI:131927)
ethyl 2-phenylethyl dimethylmalonate (CHEBI:87278) is a diester (CHEBI:51307)
IUPAC Name 
ethyl 2-phenylethyl dimethylpropanedioate