ChemSpider 2D Image | 29-Hydroxyfriedelan-3-one | C31H52O2

29-Hydroxyfriedelan-3-one

  • Molecular FormulaC31H52O2
  • Average mass456.743 Da
  • Monoisotopic mass456.396729 Da
  • ChemSpider ID29365130

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(4aS,6aS,6bR,8aS,12aR,12bS,14aR,14bS)-11-(Hydroxymethyl)-4,4,4a,6b,8a,11,12b,14a-octamethylicosahydro-3(2H)-picenon [German] [ACD/IUPAC Name]
(4aS,6aS,6bR,8aS,12aR,12bS,14aR,14bS)-11-(Hydroxymethyl)-4,4,4a,6b,8a,11,12b,14a-octamethylicosahydro-3(2H)-picenone [ACD/IUPAC Name]
(4aS,6aS,6bR,8aS,12aR,12bS,14aR,14bS)-11-(Hydroxyméthyl)-4,4,4a,6b,8a,11,12b,14a-octaméthylicosahydro-3(2H)-picénone [French] [ACD/IUPAC Name]
29-Hydroxyfriedelan-3-one
3(2H)-Picenone, eicosahydro-11-(hydroxymethyl)-4,4,4a,6b,8a,11,12b,14a-octamethyl-, (4aS,6aS,6bR,8aS,12aR,12bS,14aR,14bS)- [ACD/Index Name]
39903-21-4 [RN]
[39903-21-4] [RN]
MFCD11975487

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 518.7±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 91.1±6.0 kJ/mol
    Flash Point: 219.3±15.2 °C
    Index of Refraction: 1.507
    Molar Refractivity: 137.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 9.40
    ACD/LogD (pH 5.5): 8.77
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1413962.25
    ACD/LogD (pH 7.4): 8.77
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1413962.25
    Polar Surface Area: 37 Å2
    Polarizability: 54.3±0.5 10-24cm3
    Surface Tension: 34.5±3.0 dyne/cm
    Molar Volume: 460.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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