ChemSpider 2D Image | (1R,3S,5R,7S)-2-Adamantanol | C10H16O

(1R,3S,5R,7S)-2-Adamantanol

  • Molecular FormulaC10H16O
  • Average mass152.233 Da
  • Monoisotopic mass152.120117 Da
  • ChemSpider ID64849759

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,3S,5R,7S)-2-Adamantanol [German] [ACD/IUPAC Name]
(1R,3S,5R,7S)-2-Adamantanol [ACD/IUPAC Name]
(1R,3S,5R,7S)-2-Adamantanol [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decan-2-ol [ACD/Index Name]
2-Adamantanol [ACD/IUPAC Name]
700-57-2 [RN]
MFCD00074744 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 255.2±8.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 57.2±6.0 kJ/mol
    Flash Point: 105.5±10.9 °C
    Index of Refraction: 1.555
    Molar Refractivity: 43.8±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.18
    ACD/LogD (pH 5.5): 2.38
    ACD/BCF (pH 5.5): 38.03
    ACD/KOC (pH 5.5): 470.63
    ACD/LogD (pH 7.4): 2.38
    ACD/BCF (pH 7.4): 38.03
    ACD/KOC (pH 7.4): 470.63
    Polar Surface Area: 20 Å2
    Polarizability: 17.4±0.5 10-24cm3
    Surface Tension: 40.7±3.0 dyne/cm
    Molar Volume: 136.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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