chempirical

Butyl (2S)-2-hydroxybutanoate

C8H16O3CAS 132513-51-0160.21 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C8H16O3
Molar mass
160.21 g/mol
Exact mass
160.1099 Da
logP
1.10Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
132513-51-0
SMILES
CCCCOC(=O)[C@H](CC)O
InChIKey
YFFBWGUXPFAXRS-ZETCQYMHSA-N
InChI
InChI=1S/C8H16O3/c1-3-5-6-11-8(10)7(9)4-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • N-Butyl (S)-2-hydroxybutyrate

Work with Butyl (2S)-2-hydroxybutanoate

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

Dibutyl tartrate87-92-366 % similar N-Butyl lactate138-22-762 % similar (±)-Butyl 2-methylbutanoate15706-73-762 % similar Butyl (2S)-2-hydroxypropanoate34451-19-962 % similar Butyl isobutyrate97-87-058 % similar Hexyl 2-methylbutanoate10032-15-254 % similar α-Hydroxy-γ-butyrolactone19444-84-950 % similar Hexyl isobutyrate2349-07-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Butoxyethanol acetate112-07-2 Isoamyl lactate19329-89-6 (±)-Ethyl 3-hydroxyhexanoate2305-25-1 Ethyl 6-hydroxyhexanoate5299-60-5 2-Hydroxyoctanoic acid617-73-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook