chempirical

Dimethyl succinylsuccinate

C10H12O6CAS 6289-46-9228.20 g/mol

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Properties

Molecular formula
C10H12O6
Molar mass
228.20 g/mol
Exact mass
228.0634 Da
Melting point
153 °C
logP
-0.50Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
2

Identifiers

CAS number
6289-46-9
SMILES
COC(=O)C1CC(=O)C(C(=O)OC)CC1=O
InChIKey
MHKKFFHWMKEBDW-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h5-6H,3-4H2,1-2H3

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

Names and synonyms

11 names
  • 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester
  • 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester
  • Succinosuccinic acid dimethyl ester
  • Dimethyl succinosuccinate
  • Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
  • NSC 122567
  • NSC 5670
  • Dimethyl cyclohexane-2,5-dione-1,4-dicarboxylate
  • Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate
  • Dimethyl 2,5-dioxocyclohexane-1,4-carboxylate
  • 1,4-Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate

Work with Dimethyl succinylsuccinate

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

Methyl 2-oxocyclopentanecarboxylate10472-24-959 % similar 1,3-Dimethyl 2-ethylpropanedioate26717-67-958 % similar Diethyl succinylsuccinate787-07-557 % similar Methyl tetrahydro-4-oxo-3-thiophenecarboxylate2689-68-157 % similar Methyl 2-cyclohexanonecarboxylate41302-34-557 % similar 1,3-Dimethyl 2-(2-methylpropyl)propanedioate39520-24-656 % similar Methyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate4160-61-653 % similar Methyl isobutyrate547-63-752 % similar

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

Elsewhere

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