chempirical

2,2-Dimethylsuccinic acid

C6H10O4CAS 597-43-3146.14 g/mol

Open in Covalent MOL file
OOHOHO
Carboxylic acid

Properties

Molecular formula
C6H10O4
Molar mass
146.14 g/mol
Exact mass
146.0579 Da
Melting point
140.5 °C
Boiling point
90 °C (at 15 Torr)
logP
0.57Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
597-43-3
SMILES
CC(C)(CC(=O)O)C(=O)O
InChIKey
GOHPTLYPQCTZSE-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)

Weigh it out

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

Names and synonyms

6 names
  • Butanedioic acid, 2,2-dimethyl-
  • Succinic acid, 2,2-dimethyl-
  • Succinic acid, α,α-dimethyl-
  • 2,2-Dimethylbutanedioic acid
  • NSC 408419
  • 2,2-Dimethylsuccinaldehyde

Work with 2,2-Dimethylsuccinic acid

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

2,2-Dimethylglutaric acid681-57-264 % similar Hydroxypivalic acid4835-90-956 % similar 2,2-Dimethylbutanoic acid595-37-956 % similar 1-Methyl 2,2-dimethylbutanedioate32980-26-055 % similar 3,3-Dimethylbutanoic acid1070-83-354 % similar 3-Chloro-2,2-dimethylpropanoic acid13511-38-154 % similar Citric acid77-92-954 % similar 2,2-Dimethylpentanoic acid1185-39-352 % similar

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

Same formula

Dimethyl succinate106-65-0 Monoethyl succinate1070-34-4 Glycol diacetate111-55-7 Adipic acid124-04-9 Glucal13265-84-4 Monomethyl glutarate1501-27-5 2-Methylglutaric acid18069-17-5 D-Galactal21193-75-9

Elsewhere

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