chempirical

1,3-Diethyl 2-ethyl-2-phenylpropanedioate

C15H20O4CAS 76-67-5264.32 g/mol

Open in Covalent MOL file
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Ester

Properties

Molecular formula
C15H20O4
Molar mass
264.32 g/mol
Exact mass
264.1362 Da
Density
1.068 g/mL (at 20 °C)
Melting point
−9–7 °C
Boiling point
146–150 °C (at NaN Torr)
logP
2.46Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
76-67-5
SMILES
CCOC(=O)C(CC)(C(=O)OCC)c1ccccc1
InChIKey
PKRVDBARWFJWEB-UHFFFAOYSA-N
InChI
InChI=1S/C15H20O4/c1-4-15(13(16)18-5-2,14(17)19-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Propanedioic acid, 2-ethyl-2-phenyl-, 1,3-diethyl ester
  • Malonic acid, ethylphenyl-, diethyl ester
  • Propanedioic acid, ethylphenyl-, diethyl ester
  • Diethyl ethylphenylmalonate
  • Diethyl 2-ethyl-2-phenylmalonate
  • NSC 5631

Work with 1,3-Diethyl 2-ethyl-2-phenylpropanedioate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl α-cyano-α-ethylbenzeneacetate718-71-864 % similar Ethyl 2-phenylisobutyrate2901-13-564 % similar (Alpha,alpha-difluoro)phenylacetic acid ethyl ester2248-46-662 % similar Ethyl benzilate52182-15-762 % similar Ethyl α,α-dichlorobenzeneacetate5317-66-862 % similar Diethylmalonic acid diethyl ester77-25-850 % similar N-(Triphenylmethyl)glycine ethyl ester18514-46-048 % similar Phenobarbital50-06-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(2'S,3'R,6'R)-2',3'-Dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethylspiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one1149-99-1 6-(4-Hydroxyphenoxy)hexyl prop-2-enoate161841-12-9 Abscisic acid21293-29-8 1,3-Diethyl 2-(2-phenylethyl)propanedioate6628-68-8 n-Octanoyl-5-salicylic acid78418-01-6

Elsewhere

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