chempirical

Dimethyl glutarate

C7H12O4CAS 1119-40-0160.17 g/mol

Open in Covalent MOL file
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Ester

Properties

Molecular formula
C7H12O4
Molar mass
160.17 g/mol
Exact mass
160.0736 Da
Density
1.0876 g/mL (at 20 °C)
Melting point
−42.5 °C
Boiling point
93.5–94.5 °C (at 13 Torr)
logP
0.50Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
1119-40-0
SMILES
COC(=O)CCCC(=O)OC
InChIKey
XTDYIOOONNVFMA-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Pentanedioic acid, 1,5-dimethyl ester
  • Glutaric acid, dimethyl ester
  • Pentanedioic acid, dimethyl ester
  • Methyl glutarate
  • Dimethyl pentanedioate
  • DBE 5
  • Dimethyl 1,3-propanedicarboxylate
  • NSC 58578
  • 1,5-Dimethyl pentanedioate

Work with Dimethyl glutarate

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

Same formula

Diethyl malonate105-53-3 Monoethyl glutarate1070-62-8 Pimelic acid111-16-0 2-Methoxyethyl 3-oxobutanoate22502-03-0 1,3-Dimethyl 2-ethylpropanedioate26717-67-9 Poly(glyceryl methacrylate)28474-30-8 (±)-3-Methyladipic acid3058-01-3 1-Methyl 2,2-dimethylbutanedioate32980-26-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook