chempirical

3-Methylglutaric acid

C6H10O4CAS 626-51-7146.14 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C6H10O4
Molar mass
146.14 g/mol
Exact mass
146.0579 Da
Density
1.1168 g/mL (at 20 °C)
Melting point
87 °C
Boiling point
165–167 °C (at 0.5 Torr)
logP
0.57Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
626-51-7
SMILES
CC(CC(=O)O)CC(=O)O
InChIKey
XJMMNTGIMDZPMU-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)

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

Names and synonyms

6 names
  • Pentanedioic acid, 3-methyl-
  • Glutaric acid, 3-methyl-
  • Glutaric acid, β-methyl-
  • 3-Methylpentanedioic acid
  • β-Methylglutaric acid
  • NSC 14870

Reactions

Work with 3-Methylglutaric 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

(3S)-3-Methylpentanoic acid1730-92-374 % similar (±)-3-Methyladipic acid3058-01-371 % similar 3,5,5-Trimethylhexanoic acid3302-10-165 % similar 3-Methylbutanoic acid503-74-264 % similar Beta-hydroxybutyric acid300-85-658 % similar L-3-Hydroxybutyric acid6168-83-858 % similar 3-Hydroxybutyric acid625-71-858 % similar (R)-3-Hydroxybutyric acid625-72-958 % 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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