ChemSpider 2D Image | (1S,2R,5S,6S,8R)-4,4,8-Trimethyltricyclo[6.3.1.0~2,5~]dodecane-1,6-diol | C15H26O2

(1S,2R,5S,6S,8R)-4,4,8-Trimethyltricyclo[6.3.1.02,5]dodecane-1,6-diol

  • Molecular FormulaC15H26O2
  • Average mass238.366 Da
  • Monoisotopic mass238.193283 Da
  • ChemSpider ID44210872

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2R,5S,6S,8R)-4,4,8-Trimethyltricyclo[6.3.1.02,5]dodecan-1,6-diol [German] [ACD/IUPAC Name]
(1S,2R,5S,6S,8R)-4,4,8-Trimethyltricyclo[6.3.1.02,5]dodecane-1,6-diol [ACD/IUPAC Name]
(1S,2R,5S,6S,8R)-4,4,8-Triméthyltricyclo[6.3.1.02,5]dodécane-1,6-diol [French] [ACD/IUPAC Name]
Tricyclo[6.3.1.02,5]dodecane-1,6-diol, 4,4,8-trimethyl-, (1S,2R,5S,6S,8R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 343.9±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.1±6.0 kJ/mol
Flash Point: 155.9±13.6 °C
Index of Refraction: 1.544
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.97
ACD/KOC (pH 5.5): 1189.92
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.97
ACD/KOC (pH 7.4): 1189.92
Polar Surface Area: 40 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 216.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement