chempirical

R-(-)-1,2-Propanediol

C3H8O2CAS 4254-14-276.09 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C3H8O2
Molar mass
76.09 g/mol
Exact mass
76.0524 Da
Boiling point
85–86 °C (at 10 Torr)
logP
-0.64Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
4254-14-2
SMILES
C[C@@H](O)CO
InChIKey
DNIAPMSPPWPWGF-GSVOUGTGSA-N
InChI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • 1,2-Propanediol, (R)-
  • 1,2-Propanediol, (R)-(-)-
  • (-)-Propylene glycol
  • 1-Deoxy-sn-glycerol
  • R-(-)-Propylene glycol
  • D-(-)-Propanediol
  • (-)-1,2-Propanediol
  • (R)-1,2-Propanediol
  • (R)-2-Hydroxy-1-propanol
  • (R)-Propylene glycol
  • NSC 90793
  • (2R)-1,2-Propanediol
  • 1,2-Propanediol, (2R)-
  • (R)-(-)-1,2-Propanediol
  • (2R)-Propane-1,2-diol

Work with R-(-)-1,2-Propanediol

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

2,5-Hexanediol2935-44-653 % similar 2,4-Pentanediol625-69-453 % similar 1-Chloro-2-propanol127-00-453 % similar (S)-1-Chloro-2-propanol37493-16-653 % similar 1,3-Butanediol107-88-050 % similar (+)-1,3-Butanediol24621-61-250 % similar (-)-1,3-Butanediol6290-03-550 % similar (-)-2-Butanol14898-79-447 % similar

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

Same formula

2-Methoxyethanol109-86-4 Dimethoxymethane109-87-5 Polyethylene glycol monomethyl ether114740-40-8 (+)-1,2-Propanediol4254-15-3 1,3-Propanediol504-63-2 Propylene glycol57-55-6 Polyethylene glycol monomethyl ether9004-74-4

Elsewhere

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