ChemSpider 2D Image | 2-[(3R,5S)-Adamantan-1-yl]-2-propanol | C13H22O

2-[(3R,5S)-Adamantan-1-yl]-2-propanol

  • Molecular FormulaC13H22O
  • Average mass194.313 Da
  • Monoisotopic mass194.167068 Da
  • ChemSpider ID68007824

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-[(3R,5S)-Adamantan-1-yl]-2-propanol [German] [ACD/IUPAC Name]
2-[(3R,5S)-Adamantan-1-yl]-2-propanol [ACD/IUPAC Name]
2-[(3R,5S)-Adamantan-1-yl]-2-propanol [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-methanol, α,α-dimethyl-, (3R,5S)- [ACD/Index Name]
2-(1-adamantyl)propan-2-ol
2-Adamantan-1-yl-propan-2-ol
775-64-4 [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: 276.2±8.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 59.8±6.0 kJ/mol
    Flash Point: 127.9±8.6 °C
    Index of Refraction: 1.543
    Molar Refractivity: 57.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.39
    ACD/LogD (pH 5.5): 3.37
    ACD/BCF (pH 5.5): 215.31
    ACD/KOC (pH 5.5): 1627.83
    ACD/LogD (pH 7.4): 3.37
    ACD/BCF (pH 7.4): 215.31
    ACD/KOC (pH 7.4): 1627.83
    Polar Surface Area: 20 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 43.4±3.0 dyne/cm
    Molar Volume: 181.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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