Methyl 3-hydroxy-2,2-dimethylpropanoate

C6H12O3CAS 14002-80-3132.16 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C6H12O3
Molar mass
132.16 g/mol
Exact mass
132.0786 Da
Boiling point
65 °C (at 10 Torr)
logP
0.18Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
14002-80-3
SMILES
COC(=O)C(C)(C)CO
InChIKey
KJRFTNVYOAGTHK-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O3/c1-6(2,4-7)5(8)9-3/h7H,4H2,1-3H3

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Names and synonyms

13 names · show all
  • Propanoic acid, 3-hydroxy-2,2-dimethyl-, methyl ester
  • Methyl hydroxypivalate
  • 2-Methoxycarbonyl-2-methylpropan-1-ol
  • Methyl 2,2-dimethyl-3-hydroxypropionate
  • Hydroxypivalic acid methyl ester
  • 2,2-Dimethyl-3-hydroxypropanoic acid methyl ester
  • Methyl 3-hydroxy-2,2-dimethylpropionate
  • 3-Hydroxy-2,2-dimethylpropionic acid methyl ester
  • Methyl 2,2-dimethyl-3-hydroxypropanoate
  • 3-Hydroxy-2,2-dimethylpropanoic acid methyl ester
  • Hydracrylic acid, 2,2-dimethyl-, methyl ester
  • Methyl β-hydroxypivalate
  • Methyl 3-hydroxypivalate

Work with Methyl 3-hydroxy-2,2-dimethylpropanoate

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

1-Methyl 2,2-dimethylbutanedioate32980-26-058 % similar Hydroxypivalyl hydroxypivalate1115-20-456 % similar Methyl (S)-2-amino-3-hydroxy-2-methylpropanoate hydrochloride114396-63-353 % similar Methyl alpha-hydroxyisobutyrate2110-78-348 % similar Hydroxypivalic acid4835-90-948 % similar Methyl 1-methylcyclopropane-1-carboxylate6206-25-348 % similar Methyl pivalate598-98-148 % similar Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate1459-96-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 Glyceryl allyl ether123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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