chempirical

2,2-Diethylpropanedioic acid

C7H12O4CAS 510-20-3160.17 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C7H12O4
Molar mass
160.17 g/mol
Exact mass
160.0736 Da
Melting point
127 °C (decomposes)
Boiling point
115–120 °C
logP
0.96Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
510-20-3
SMILES
CCC(CC)(C(=O)O)C(=O)O
InChIKey
LTMRRSWNXVJMBA-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O4/c1-3-7(4-2,5(8)9)6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)

Weigh it out

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

Names and synonyms

7 names
  • Malonic acid, diethyl-
  • Propanedioic acid, 2,2-diethyl-
  • Propanedioic acid, diethyl-
  • 3,3-Pentanedicarboxylic acid
  • Diethylmalonic acid
  • 2,2-Diethylmalonic acid
  • NSC 1986

Work with 2,2-Diethylpropanedioic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dipropylmalonic acid1636-27-758 % similar 2,2-Dimethylbutanoic acid595-37-958 % similar 1,1-Cyclopropanedicarboxylic acid598-10-757 % similar 2,2-Bis(hydroxymethyl)butanoic acid10097-02-654 % similar (±)-2-Hydroxy-2-methylbutyric acid3739-30-854 % similar Dl-isovaline465-58-752 % similar Isovaline595-39-152 % similar Isovaline595-40-452 % similar

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

Same formula

Diethyl malonate105-53-3 Monoethyl glutarate1070-62-8 Pimelic acid111-16-0 Dimethyl glutarate1119-40-0 2-Methoxyethyl 3-oxobutanoate22502-03-0 1,3-Dimethyl 2-ethylpropanedioate26717-67-9 Poly(glyceryl methacrylate)28474-30-8 (±)-3-Methyladipic acid3058-01-3

Elsewhere

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