ChemSpider 2D Image | (2R)-2-[(Benzyloxy)methoxy]-3-methyl-1-(1,1-~2~H_2_)butanol | C13H18D2O3

(2R)-2-[(Benzyloxy)methoxy]-3-methyl-1-(1,1-2H2)butanol

  • Molecular FormulaC13H18D2O3
  • Average mass226.308 Da
  • Monoisotopic mass226.153793 Da
  • ChemSpider ID17246378

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-2-[(Benzyloxy)methoxy]-3-methyl-1-(1,1-2H2)butanol [ACD/IUPAC Name]
(2R)-2-[(Benzyloxy)methoxy]-3-methyl-1-(1,1-2H2)butanol [German] [ACD/IUPAC Name]
(2R)-2-[(Benzyloxy)méthoxy]-3-méthyl-1-(1,1-2H2)butanol [French] [ACD/IUPAC Name]
1-Butan-1,1-d2-ol, 3-methyl-2-[(phenylmethoxy)methoxy]-, (2R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 318.2±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 146.2±22.3 °C
Index of Refraction: 1.504
Molar Refractivity: 63.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 58.01
ACD/KOC (pH 5.5): 636.67
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 58.01
ACD/KOC (pH 7.4): 636.67
Polar Surface Area: 39 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 215.8±3.0 cm3

Click to predict properties on the Chemicalize site


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