chempirical

Methyl (-)-3-hydroxybutyrate

C5H10O3CAS 3976-69-0118.13 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C5H10O3
Molar mass
118.13 g/mol
Exact mass
118.0630 Da
Density
1.0523 g/mL (at 25 °C)
Boiling point
63–66 °C (at 10 Torr)
logP
-0.07Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
3976-69-0
SMILES
COC(=O)C[C@@H](C)O
InChIKey
LDLDJEAVRNAEBW-SCSAIBSYSA-N
InChI
InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1

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

Names and synonyms

14 names · show all
  • Butanoic acid, 3-hydroxy-, methyl ester, (3R)-
  • Butanoic acid, 3-hydroxy-, methyl ester, (R)-
  • Butyric acid, 3-hydroxy-, methyl ester, D-(-)-
  • D-3-Hydroxybutyric acid methyl ester
  • Methyl (R)-3-hydroxybutanoate
  • Methyl (R)-3-hydroxybutyrate
  • (R)-β-Hydroxybutyric acid methyl ester
  • Methyl 3R-hydroxybutyrate
  • Methyl (R)-(-)-3-hydroxybutyrate
  • Methyl (-)-3-hydroxybutanoate
  • (-)-(3R)-3-Hydroxybutanoic acid methyl ester
  • (3R)-3-Hydroxybutanoic acid methyl ester
  • Methyl (3R)-hydroxybutanoate
  • (R)-(-)-3-Hydroxy-n-butyrate methyl ester

Work with Methyl (-)-3-hydroxybutyrate

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 carbonate105-58-8 Ethylene glycol monomethyl ether acetate110-49-6 (S)-2-Hydroxy-3-methylbutanoic acid17407-55-5 Methyl 2-hydroxyisobutyrate2110-78-3 (±)-2-Hydroxy-2-methylbutyric acid3739-30-8 Methyl 3-methoxypropionate3852-09-3 Ethyl 2-methoxyacetate3938-96-3 (±)-2-Hydroxyisovaleric acid4026-18-0

Elsewhere

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