chempirical

Butyl (2S)-2-hydroxypropanoate

C7H14O3CAS 34451-19-9146.19 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C7H14O3
Molar mass
146.19 g/mol
Exact mass
146.0943 Da
logP
0.71Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
34451-19-9
SMILES
CCCCOC(=O)[C@H](C)O
InChIKey
MRABAEUHTLLEML-LURJTMIESA-N
InChI
InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3/t6-/m0/s1

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

Names and synonyms

10 names
  • Propanoic acid, 2-hydroxy-, butyl ester, (2S)-
  • Propanoic acid, 2-hydroxy-, butyl ester, (S)-
  • (S)-(+)-Butyl lactate
  • L-Lactic acid n-butyl ester
  • (+)-Butyl lactate
  • Butyl L-(+)-lactate
  • (+)-n-Butyl lactate
  • (S)-n-Butyl lactate
  • Galaster BL97
  • (-)-Butyl L-lactate

Work with Butyl (2S)-2-hydroxypropanoate

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

Propyl (2S)-2-hydroxypropanoate53651-69-779 % similar Propyl lactate616-09-179 % similar Dibutyl tartrate87-92-368 % similar Butyl isobutyrate97-87-065 % similar Butyl (2S)-2-hydroxybutanoate132513-51-062 % similar Ethyl lactate687-47-861 % similar Ethyl lactate97-64-361 % similar Isoamyl lactate19329-89-661 % similar

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

Same formula

Glycidaldehyde diethyl acetal13269-77-7 N-Butyl lactate138-22-7 Methyl 3-hydroxyhexanoate21188-58-9 Tetrahydrofurfuryl polyethylene glycol31692-85-0 3-Methoxybutyl acetate4435-53-4 6-Hydroxyhexanoic acid methyl ester4547-43-7 [2,2-Dimethyl-1,3-dioxan-5-yl)methanol4728-12-5 Isobutyl (R)-2-hydroxypropionate61597-96-4

Elsewhere

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