chempirical

1,5-Dimethyl 3-hydroxypentanedioate

C7H12O5CAS 7250-55-7176.17 g/mol

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OOOHOO
AlcoholEster

Properties

Molecular formula
C7H12O5
Molar mass
176.17 g/mol
Exact mass
176.0685 Da
Boiling point
135–138 °C (at 12.5 Torr)
logP
-0.53Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Identifiers

CAS number
7250-55-7
SMILES
COC(=O)CC(O)CC(=O)OC
InChIKey
CUPGMRSSZADEIW-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O5/c1-11-6(9)3-5(8)4-7(10)12-2/h5,8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Pentanedioic acid, 3-hydroxy-, 1,5-dimethyl ester
  • Glutaric acid, 3-hydroxy-, dimethyl ester
  • Pentanedioic acid, 3-hydroxy-, dimethyl ester
  • Dimethyl β-hydroxyglutarate
  • NSC 30047
  • 3-Hydroxyglutaric acid dimethyl ester
  • Dimethyl 3-hydroxyglutarate
  • 3-Hydroxypentanedioic acid dimethyl ester
  • Dimethyl 3-hydroxypentanedioate

Work with 1,5-Dimethyl 3-hydroxypentanedioate

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

Methyl 3-hydroxyhexanoate21188-58-971 % similar Methyl (+)-3-hydroxybutanoate53562-86-063 % similar Dimethyl malate38115-87-659 % similar (S)-(-)-Dimethyl malate617-55-059 % similar Methyl isovalerate556-24-158 % similar Methyl 3,3-dimethoxypropionate7424-91-158 % similar Diethyl 3-hydroxyglutarate32328-03-357 % similar (S)-3-Hydroxy-γ-butyrolactone7331-52-452 % similar

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

Same formula

(2-Acetoxyethoxy)methyl acetate59278-00-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook