Ethyl 3-hydroxybutyrate
Properties
- Molecular formula
- C6H12O3
- Molar mass
- 132.16 g/mol
- Exact mass
- 132.0786 Da
- Density
- 1.017 g/mL (at 20 °C)
- Boiling point
- 185 °C
- logP
- 0.32Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Identifiers
CAS number
35608-64-1SMILES
CCOC(=O)CC(C)OInChIKey
OMSUIQOIVADKIM-UHFFFAOYSA-NInChI
InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
14 names · show all
- Butanoic acid, 3-hydroxy-, ethyl ester
- Butyric acid, 3-hydroxy-, ethyl ester
- Butyric acid, β-hydroxy-, ethyl ester
- Ethyl 3-hydroxybutanoate
- Ethyl β-hydroxybutyrate
- 3-Hydroxybutanoic acid ethyl ester
- 3-Hydroxybutyric acid ethyl ester
- Ethyl DL-3-hydroxybutyrate
- (±)-3-Hydroxybutanoic acid ethyl ester
- (±)-Ethyl 3-hydroxybutyrate
- Ethyl (±)-3-hydroxybutanoate
- NSC 42916
- NSC 8115
- DL-3-Hydroxy-n-butyrate ethyl ester
Work with Ethyl 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Ethyl 3-hydroxybutyrate5405-41-4100 % similar
(+)-Ethyl 3-hydroxybutyrate56816-01-4100 % similar
Diethyl 3-hydroxyglutarate32328-03-366 % similar
(3R)-3-Hydroxybutyl (3R)-3-hydroxybutanoate1208313-97-665 % similar
Ethyl isovalerate108-64-562 % similar
Methyl (-)-3-hydroxybutyrate3976-69-060 % similar
Methyl (+)-3-hydroxybutanoate53562-86-060 % similar
Ethyl 3-methylpentanoate5870-68-856 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds