ChemSpider 2D Image | (1R,2S,3S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-diol | C10H18O2

(1R,2S,3S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-diol

  • Molecular FormulaC10H18O2
  • Average mass170.249 Da
  • Monoisotopic mass170.130676 Da
  • ChemSpider ID61613276

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2,3-diol [German] [ACD/IUPAC Name]
(1R,2S,3S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-diol [ACD/IUPAC Name]
(1R,2S,3S,4R)-1,7,7-Triméthylbicyclo[2.2.1]heptane-2,3-diol [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-2,3-diol, 1,7,7-trimethyl-, (1R,2S,3S,4R)- [ACD/Index Name]
1932415-46-7 [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: 261.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.0±6.0 kJ/mol
Flash Point: 119.5±13.0 °C
Index of Refraction: 1.535
Molar Refractivity: 47.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.70
ACD/KOC (pH 5.5): 163.75
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.70
ACD/KOC (pH 7.4): 163.75
Polar Surface Area: 40 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 152.4±3.0 cm3

Click to predict properties on the Chemicalize site


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