3-Hydroxy-3-methylglutaric acid

C6H10O5CAS 503-49-1162.14 g/mol

Open in Covalent MOL file
OHOHOOOH
AlcoholCarboxylic acid

Properties

Molecular formula
C6H10O5
Molar mass
162.14 g/mol
Exact mass
162.0528 Da
Melting point
108–109 °C
logP
-0.31Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
503-49-1
SMILES
CC(O)(CC(=O)O)CC(=O)O
InChIKey
NPOAOTPXWNWTSH-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,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

15 names · show all
  • Pentanedioic acid, 3-hydroxy-3-methyl-
  • Glutaric acid, 3-hydroxy-3-methyl-
  • 3-Hydroxy-3-methylpentanedioic acid
  • β-Hydroxy-β-methylglutaric acid
  • Meglutol
  • 3-Methyl-3-hydroxyglutaric acid
  • Dicrotalic acid
  • CB 337
  • Mevalon
  • HMGA
  • Lipoglutaren
  • Medroglutaric acid
  • HMG
  • NSC 361411
  • 3-Methyl-3-hydroxypentanedioic acid

Work with 3-Hydroxy-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

3-Hydroxyisovaleric acid625-08-160 % similar 3,3-Dimethylbutanoic acid1070-83-358 % similar 3,3-Dimethylglutaric acid4839-46-758 % similar (R)-(-)-Citramalic acid6236-10-852 % similar 3-Hydroxy-3-methyl-4,4,4-trifluorobutyric acid338-03-450 % similar 3-Ethyl-3-methylpentanedioic acid5345-01-750 % similar 2,2-Dimethylsuccinic acid597-43-350 % similar 3,3,3-Trifluoropropionic acid2516-99-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl pyrocarbonate1609-47-8 Dimethyl malate38115-87-6 2-C-Methyl-D-ribono-1,4-lactone492-30-8 Levoglucosan498-07-7 1,3-Dimethyl 2-methoxypropanedioate5018-30-4 Conduritol B epoxide6090-95-5 1,3,5-Benzenetriol, hydrate (1:2)6099-90-7 (S)-(-)-Dimethyl malate617-55-0

Elsewhere

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