ChemSpider 2D Image | (S)-Cyclohexyl[(1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]methanol | C17H30O

(S)-Cyclohexyl[(1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]methanol

  • Molecular FormulaC17H30O
  • Average mass250.419 Da
  • Monoisotopic mass250.229660 Da
  • ChemSpider ID73983424

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(S)-Cyclohexyl[(1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]methanol [German] [ACD/IUPAC Name]
(S)-Cyclohexyl[(1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]methanol [ACD/IUPAC Name]
(S)-Cyclohexyl[(1R,2R,3R,5S)-2,6,6-triméthylbicyclo[3.1.1]hept-3-yl]méthanol [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]heptane-3-methanol, α-cyclohexyl-2,6,6-trimethyl-, (αS,1R,2R,3R,5S)- [ACD/Index Name]
(1R,2R,3R,5S)-α-Cyclohexyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-methanol
MFCD31567251

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 333.4±10.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 66.8±6.0 kJ/mol
    Flash Point: 155.8±9.1 °C
    Index of Refraction: 1.499
    Molar Refractivity: 76.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 5.66
    ACD/LogD (pH 5.5): 5.17
    ACD/BCF (pH 5.5): 5011.34
    ACD/KOC (pH 5.5): 15488.85
    ACD/LogD (pH 7.4): 5.17
    ACD/BCF (pH 7.4): 5011.34
    ACD/KOC (pH 7.4): 15488.85
    Polar Surface Area: 20 Å2
    Polarizability: 30.2±0.5 10-24cm3
    Surface Tension: 33.5±3.0 dyne/cm
    Molar Volume: 259.2±3.0 cm3

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