ChemSpider 2D Image | (1S,2S,3R,7R,8S,10R)-3,10-Dihydroxy-6,12-diisopropyl-3,10-dimethyltricyclo[6.2.2.0~2,7~]dodeca-5,11-diene-4,9-dione | C20H28O4

(1S,2S,3R,7R,8S,10R)-3,10-Dihydroxy-6,12-diisopropyl-3,10-dimethyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID28424429

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2S,3R,7R,8S,10R)-3,10-Dihydroxy-6,12-diisopropyl-3,10-dimethyltricyclo[6.2.2.02,7]dodeca-5,11-dien-4,9-dion [German] [ACD/IUPAC Name]
(1S,2S,3R,7R,8S,10R)-3,10-Dihydroxy-6,12-diisopropyl-3,10-dimethyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione [ACD/IUPAC Name]
(1S,2S,3R,7R,8S,10R)-3,10-Dihydroxy-6,12-diisopropyl-3,10-diméthyltricyclo[6.2.2.02,7]dodéca-5,11-diène-4,9-dione [French] [ACD/IUPAC Name]
1,4-Ethanonaphthalene-6,10(4H)-dione, 1,4a,5,8a-tetrahydro-5,9-dihydroxy-5,9-dimethyl-2,8-bis(1-methylethyl)-, (1S,4S,4aS,5R,8aR,9R)- [ACD/Index Name]
[106623-23-8] [RN]
106623-23-8 [RN]
3,10-Dihydroxy-5,11-dielmenthadiene-4,9-dione
MFCD20260649

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 499.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 88.5±6.0 kJ/mol
    Flash Point: 270.2±25.2 °C
    Index of Refraction: 1.551
    Molar Refractivity: 91.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 2.62
    ACD/BCF (pH 5.5): 57.46
    ACD/KOC (pH 5.5): 632.36
    ACD/LogD (pH 7.4): 2.62
    ACD/BCF (pH 7.4): 57.46
    ACD/KOC (pH 7.4): 632.35
    Polar Surface Area: 75 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 43.9±3.0 dyne/cm
    Molar Volume: 285.5±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement