ChemSpider 2D Image | (1S,2R,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol | C10H18O2

(1S,2R,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol

  • Molecular FormulaC10H18O2
  • Average mass170.249 Da
  • Monoisotopic mass170.130676 Da
  • ChemSpider ID21474967

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,2R,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptan-2,3-diol [German] [ACD/IUPAC Name]
(1S,2R,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol [ACD/IUPAC Name]
(1S,2R,3S,5R)-2,6,6-Triméthylbicyclo[3.1.1]heptane-2,3-diol [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]heptane-2,3-diol, 2,6,6-trimethyl-, (1S,2R,3S,5R)- [ACD/Index Name]
(3S,1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 263.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.3±6.0 kJ/mol
Flash Point: 120.8±13.0 °C
Index of Refraction: 1.520
Molar Refractivity: 47.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.25
ACD/KOC (pH 5.5): 289.05
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.25
ACD/KOC (pH 7.4): 289.05
Polar Surface Area: 40 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 156.0±3.0 cm3

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