chempirical

1-Methylethyl (2S)-2-hydroxypropanoate

C6H12O3CAS 63697-00-7132.16 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C6H12O3
Molar mass
132.16 g/mol
Exact mass
132.0786 Da
logP
0.32Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
63697-00-7
SMILES
CC(C)OC(=O)[C@H](C)O
InChIKey
KIWATKANDHUUOB-YFKPBYRVSA-N
InChI
InChI=1S/C6H12O3/c1-4(2)9-6(8)5(3)7/h4-5,7H,1-3H3/t5-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • Propanoic acid, 2-hydroxy-, 1-methylethyl ester, (2S)-
  • Propanoic acid, 2-hydroxy-, 1-methylethyl ester, (S)-
  • Isopropyl (S)-lactate
  • Isopropyl (S)-2-hydroxypropionate
  • Isopropyl (S)-(-)-lactate
  • Isopropyl L-(+)-lactate
  • (-)-Isopropyl lactate
  • (S)-Isopropyl 2-hydroxypropanoate

Work with 1-Methylethyl (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

Diisopropyl tartrate2217-15-464 % similar Diisopropyl (-)-tartrate62961-64-264 % similar Lactic anhydride97-73-463 % similar (+)-Methyl lactate17392-83-558 % similar (-)-Methyl lactate27871-49-458 % similar Methyl lactate547-64-858 % similar Isopropyl isobutyrate617-50-556 % similar Ethyl lactate687-47-852 % similar

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

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 tert-Butoxy acetic acid13211-32-0

Elsewhere

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