chempirical

2-Methylglutaric acid

C6H10O4CAS 18069-17-5146.14 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
78–80 °C
Boiling point
195–196 °C (at 12 Torr)
logP
0.57Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
18069-17-5
SMILES
CC(CCC(=O)O)C(=O)O
InChIKey
AQYCMVICBNBXNA-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)

Weigh it out

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

Names and synonyms

8 names
  • Pentanedioic acid, 2-methyl-
  • Glutaric acid, 2-methyl-
  • 2-Methylpentanedioic acid
  • α-Methylglutaric acid
  • (±)-2-Methylglutaric acid
  • NSC 408456
  • NSC 5941
  • Pentanedioic acid 2-methyl ester

Work with 2-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

(+)-Methylsuccinic acid3641-51-864 % similar 2-Methylsuccinic acid498-21-564 % similar 2-Methylvaleric acid97-61-059 % similar 4-Methylpentanoic acid646-07-157 % similar Poly(L-glutamic acid)25513-46-655 % similar 2-Methylhexanoic acid4536-23-655 % similar Glutamic acid56-86-055 % similar Glutamic acid617-65-255 % 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 D-Galactal21193-75-9 Methyl 4-methoxyacetoacetate41051-15-4

Elsewhere

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