ChemSpider 2D Image | (5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one | C6H8O3

(5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one

  • Molecular FormulaC6H8O3
  • Average mass128.126 Da
  • Monoisotopic mass128.047348 Da
  • ChemSpider ID21475670

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5R)-6,8-Dioxabicyclo[3.2.1]octan-4-on [German] [ACD/IUPAC Name]
(5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one [ACD/IUPAC Name]
(5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one [French] [ACD/IUPAC Name]
6,8-Dioxabicyclo[3.2.1]octan-4-one, (5R)- [ACD/Index Name]
(1R)-7,8-dioxabicyclo[3.2.1]octan-2-one
(1S,5R)-4-Oxo-6,8-dioxabicyclo[3.2.1]octane
(1S,5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one; (1S,5R)-4-Oxo-6,8-dioxabicyclo[3.2.1]octane
(5{R})-6,8-dioxabicyclo[3.2.1]octan-4-one
1087696-49-8 [RN]
2089575-85-7 [RN]
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 231.6±30.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 46.8±3.0 kJ/mol
    Flash Point: 84.3±11.0 °C
    Index of Refraction: 1.484
    Molar Refractivity: 29.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.71
    ACD/LogD (pH 5.5): -0.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 12.63
    ACD/LogD (pH 7.4): -0.51
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.63
    Polar Surface Area: 36 Å2
    Polarizability: 11.5±0.5 10-24cm3
    Surface Tension: 38.5±3.0 dyne/cm
    Molar Volume: 101.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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