ChemSpider 2D Image | 2-[(1S,2R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-yl]ethanol | C11H20O

2-[(1S,2R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-yl]ethanol

  • Molecular FormulaC11H20O
  • Average mass168.276 Da
  • Monoisotopic mass168.151413 Da
  • ChemSpider ID45891884

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R,5S)-6,6-Dimethylbicyclo[3.1.1]heptane-2-ethanol
2-[(1S,2R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-yl]ethanol [German] [ACD/IUPAC Name]
2-[(1S,2R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-yl]ethanol [ACD/IUPAC Name]
2-[(1S,2R,5S)-6,6-Diméthylbicyclo[3.1.1]hept-2-yl]éthanol [French] [ACD/IUPAC Name]
2-[(1S,2R,5S)-6,6-Dimethylbicyclo[3.1.1]heptan-2-yl]ethan-1-ol [ACD/IUPAC Name]
266689-70-7 [RN]
3194663 [Beilstein]
Bicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl-, (1S,2R,5S)- [ACD/Index Name]
L46 ATJ A1 A1 E2Q &&(1S,2R,5S)- Form [WLN]
133001-09-9 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 0.9±0.1 g/cm3
    Boiling Point: 234.5±8.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 54.8±6.0 kJ/mol
    Flash Point: 103.8±8.6 °C
    Index of Refraction: 1.477
    Molar Refractivity: 50.5±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.29
    ACD/LogD (pH 5.5): 3.37
    ACD/BCF (pH 5.5): 213.38
    ACD/KOC (pH 5.5): 1617.38
    ACD/LogD (pH 7.4): 3.37
    ACD/BCF (pH 7.4): 213.38
    ACD/KOC (pH 7.4): 1617.38
    Polar Surface Area: 20 Å2
    Polarizability: 20.0±0.5 10-24cm3
    Surface Tension: 34.4±3.0 dyne/cm
    Molar Volume: 178.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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