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CHEBI:87278 - ethyl 2-phenylethyl dimethylmalonate
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ChEBI Name
ethyl 2-phenylethyl dimethylmalonate
ChEBI ID
CHEBI:87278
Definition
A dieter obtained by the formal condensation of the two carboxy groups of dimethylmalonic acid with ethanol and 2-phenylethanol respectively.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C15H20O4
Net Charge
0
Average Mass
264.31690
Monoisotopic Mass
264.13616
InChI
InChI=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
InChIKey
FEOPIDQCBSIXGZ-UHFFFAOYSA-N
SMILES
CCOC(=O)C(C)(C)C(=O)OCCc1ccccc1
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Last Modified
16 May 2016