chempirical

Diethyl succinylsuccinate

C12H16O6CAS 787-07-5256.25 g/mol

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Properties

Molecular formula
C12H16O6
Molar mass
256.25 g/mol
Exact mass
256.0947 Da
Melting point
127–128 °C
logP
0.28Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
787-07-5
SMILES
CCOC(=O)C1CC(=O)C(C(=O)OCC)CC1=O
InChIKey
KSKWGMNRWCYVAT-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h7-8H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester
  • 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, diethyl ester
  • Diethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate
  • 2,5-Bis(ethoxycarbonyl)-1,4-cyclohexanedione
  • Diethyl succinosuccinate
  • Succinylsuccinic acid ethyl ester
  • Diethyl 1,4-cyclohexanedione-2,5-dicarboxylate
  • Diethyl 1,4-dioxo-2,5-cyclohexanedicarboxylate
  • 2,5-Dicarbethoxy-1,4-cyclohexanedione
  • 2,5-Dioxo-1,4-cyclohexanedicarboxylic acid diethyl ester
  • NSC 1140
  • NSC 130894

Work with Diethyl 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

1,3-Diethyl 2-ethylpropanedioate133-13-163 % similar Triethyl 1,1,2-ethanetricarboxylate7459-46-362 % similar Ethyl 2-oxocyclopentanecarboxylate611-10-961 % similar Ethyl 2-oxocyclohexanecarboxylate1655-07-859 % similar Ethyl isobutyrate97-62-159 % similar Diethyl isobutylmalonate10203-58-459 % similar Propylmalonic acid diethyl ester2163-48-659 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-358 % similar

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

Same formula

Phenyl β-D-glucopyranoside1464-44-4 Phenyl β-D-galactopyranoside2818-58-8 Phenyl α-D-glucopyranoside4630-62-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook