ChemSpider 2D Image | (1R,5S)-Bicyclo[3.2.1]octan-2-one | C8H12O

(1R,5S)-Bicyclo[3.2.1]octan-2-one

  • Molecular FormulaC8H12O
  • Average mass124.180 Da
  • Monoisotopic mass124.088814 Da
  • ChemSpider ID21473678

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-Bicyclo[3.2.1]octan-2-on [German] [ACD/IUPAC Name]
(1R,5S)-Bicyclo[3.2.1]octan-2-one [ACD/IUPAC Name]
(1R,5S)-Bicyclo[3.2.1]octan-2-one [French] [ACD/IUPAC Name]
Bicyclo[3.2.1]octan-2-one, (1R,5S)- [ACD/Index Name]
(1R,5S)-Bicyclo[3.2.1]octan-3-one [ACD/IUPAC Name]
5019-82-9 [RN]
61302-30-5 [RN]
Bicyclo[3.2.1]octan-2-one [ACD/Index Name] [ACD/IUPAC Name]
Bicyclo[3.2.1]octan-3-one [ACD/Index Name] [ACD/IUPAC Name]
bicyclo[3.2.1]octan-4-one
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 201.6±8.0 °C at 760 mmHg
    Vapour Pressure: 0.3±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 43.8±3.0 kJ/mol
    Flash Point: 68.7±10.7 °C
    Index of Refraction: 1.499
    Molar Refractivity: 35.1±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.18
    ACD/LogD (pH 5.5): 1.27
    ACD/BCF (pH 5.5): 5.40
    ACD/KOC (pH 5.5): 116.37
    ACD/LogD (pH 7.4): 1.27
    ACD/BCF (pH 7.4): 5.40
    ACD/KOC (pH 7.4): 116.37
    Polar Surface Area: 17 Å2
    Polarizability: 13.9±0.5 10-24cm3
    Surface Tension: 35.9±3.0 dyne/cm
    Molar Volume: 119.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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