(+)-Ethyl 3-hydroxybutyrate

C₆H₁₂O₃CAS 56816-01-4132.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂O₃
Molar mass: 132.16 g/mol
Exact mass: 132.0786 Da
Boiling point: 70 °C (at 11 Torr)
logP: 0.32Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

56816-01-4

SMILES

CCOC(=O)C[C@H](C)O

InChIKey

OMSUIQOIVADKIM-YFKPBYRVSA-N

InChI

InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3/t5-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all

Butanoic acid, 3-hydroxy-, ethyl ester, (3S)-
Butanoic acid, 3-hydroxy-, ethyl ester, (S)-
Ethyl (+)-3-hydroxybutanoate
(S)-(+)-Ethyl 3-hydroxybutyrate
Ethyl (S)-3-hydroxybutanoate
(S)-3-Hydroxybutanoic acid ethyl ester
Ethyl (S)-3-hydroxybutyrate
Ethyl (S)-(+)-β-hydroxybutyrate
(S)-(+)-Ethyl 3-hydroxybutanoate
(S)-3-Hydroxybutyric acid ethyl ester
(S)-(+)-3-Hydroxy-n-butyrate ethyl ester
(S)-Ethyl 3-hydroxybutyrate
(3S)-3-Hydroxybutyric acid 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 Isotope patternExact mass and the mass spectrum pattern

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 3-(Allyloxy)-1,2-propanediol123-34-2 Paraldehyde123-63-7 L-Leucic acid13748-90-8

Elsewhere

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