chempirical

Monoethyl glutarate

C7H12O4CAS 1070-62-8160.17 g/mol

Open in Covalent MOL file
OOOOH
AlcoholCarboxylic AcidEster

Properties

Molecular formula
C7H12O4
Molar mass
160.17 g/mol
Exact mass
160.0736 Da
Density
1.1242 g/mL (at 13.5 °C)
Melting point
7–8 °C
Boiling point
150 °C (at 15 Torr)
logP
0.80Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
1070-62-8
SMILES
CCOC(=O)CCCC(=O)O
InChIKey
MYMNBFURSYZQBR-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O4/c1-2-11-7(10)5-3-4-6(8)9/h2-5H2,1H3,(H,8,9)

Weigh it out

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

Names and synonyms

6 names
  • Pentanedioic acid, 1-ethyl ester
  • Glutaric acid, monoethyl ester
  • Pentanedioic acid, monoethyl ester
  • Glutaric acid, ethyl ester
  • Ethyl hydrogen glutarate
  • Ethyl hydrogen pentanedioate

Work with Monoethyl 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 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 1-Methyl 2,2-dimethylbutanedioate32980-26-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook