chempirical

1,1,2,3-Tetraethyl 1,1,2,3-propanetetracarboxylate

C15H24O8CAS 635-03-0332.35 g/mol

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Ester

Properties

Molecular formula
C15H24O8
Molar mass
332.35 g/mol
Exact mass
332.1471 Da
Boiling point
200–201 °C (at 13 Torr)
logP
0.86Crippen estimate
Polar surface area
105.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
10

Identifiers

CAS number
635-03-0
SMILES
CCOC(=O)CC(C(=O)OCC)C(C(=O)OCC)C(=O)OCC
InChIKey
WGEVJRBJWMGTSI-UHFFFAOYSA-N
InChI
InChI=1S/C15H24O8/c1-5-20-11(16)9-10(13(17)21-6-2)12(14(18)22-7-3)15(19)23-8-4/h10,12H,5-9H2,1-4H3

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Names and synonyms

4 names
  • 1,1,2,3-Propanetetracarboxylic acid, 1,1,2,3-tetraethyl ester
  • 1,1,2,3-Propanetetracarboxylic acid, tetraethyl ester
  • Tetraethyl 1,1,2,3-propanetetracarboxylate
  • NSC 2198

Reactions

Work with 1,1,2,3-Tetraethyl 1,1,2,3-propanetetracarboxylate

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

Triethyl 1,1,2-ethanetricarboxylate7459-46-365 % similar Diethyl 2-acetylsuccinate1115-30-656 % similar 1,4-Diethyl 2-(2-oxopropyl)butanedioate1187-74-254 % similar 1,2-Diethyl 1,2-cyclohexanedicarboxylate10138-59-753 % similar Ethyl isovalerate108-64-553 % similar 1,3-Diethyl 2-(1-methylethyl)propanedioate759-36-453 % similar Ethyl 3,3-diethoxypropionate10601-80-652 % similar Diethyl 3-hydroxyglutarate32328-03-352 % similar

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

Elsewhere

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