ChemSpider 2D Image | (2R)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one | C10H16O2

(2R)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one

  • Molecular FormulaC10H16O2
  • Average mass168.233 Da
  • Monoisotopic mass168.115036 Da
  • ChemSpider ID21170016

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2R)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-on [German] [ACD/IUPAC Name]
(2R)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one [ACD/IUPAC Name]
(2R)-2-Hydroxy-2,6,6-triméthylbicyclo[3.1.1]heptan-3-one [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]heptan-3-one, 2-hydroxy-2,6,6-trimethyl-, (2R)- [ACD/Index Name]
1807938-57-3 [RN]
1845-25-6 [RN]
24047-72-1 [RN]
MFCD00191522 [MDL number]
MFCD28397392

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

400416_ALDRICH [DBID]
56201_FLUKA [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 245.0±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 56.0±6.0 kJ/mol
    Flash Point: 104.5±15.2 °C
    Index of Refraction: 1.503
    Molar Refractivity: 46.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.82
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.72
    ACD/KOC (pH 5.5): 202.71
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.72
    ACD/KOC (pH 7.4): 202.71
    Polar Surface Area: 37 Å2
    Polarizability: 18.2±0.5 10-24cm3
    Surface Tension: 36.4±3.0 dyne/cm
    Molar Volume: 155.5±3.0 cm3

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