ChemSpider 2D Image | (2R,3R)-4-(Benzyloxy)-3-methyl-1,2-butanediol | C12H18O3

(2R,3R)-4-(Benzyloxy)-3-methyl-1,2-butanediol

  • Molecular FormulaC12H18O3
  • Average mass210.270 Da
  • Monoisotopic mass210.125595 Da
  • ChemSpider ID30992587

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3R)-4-(Benzyloxy)-3-methyl-1,2-butandiol [German] [ACD/IUPAC Name]
(2R,3R)-4-(Benzyloxy)-3-methyl-1,2-butanediol [ACD/IUPAC Name]
(2R,3R)-4-(Benzyloxy)-3-méthyl-1,2-butanediol [French] [ACD/IUPAC Name]
1,2-Butanediol, 3-methyl-4-(phenylmethoxy)-, (2R,3R)- [ACD/Index Name]
(2R,3R)-4-(Benzyloxy)-3-methylbutane-1,2-diol
155489-00-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 370.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 177.8±25.1 °C
Index of Refraction: 1.533
Molar Refractivity: 59.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.91
ACD/KOC (pH 5.5): 124.20
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.91
ACD/KOC (pH 7.4): 124.20
Polar Surface Area: 50 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 190.4±3.0 cm3

Click to predict properties on the Chemicalize site


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