ChemSpider 2D Image | 9-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-6,7-dimethoxy-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one | C25H30O6

9-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-6,7-dimethoxy-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one

  • Molecular FormulaC25H30O6
  • Average mass426.502 Da
  • Monoisotopic mass426.204254 Da
  • ChemSpider ID21836123

More details:

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

1H-Xanthen-1-one, 2,3,4,9-tetrahydro-9-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-6,7-dimethoxy-3,3-dimethyl- [ACD/Index Name]
9-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-6,7-dimethoxy-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-on [German] [ACD/IUPAC Name]
9-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-6,7-dimethoxy-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one [ACD/IUPAC Name]
9-(2-Hydroxy-4,4-diméthyl-6-oxo-1-cyclohexén-1-yl)-6,7-diméthoxy-3,3-diméthyl-2,3,4,9-tétrahydro-1H-xanthén-1-one [French] [ACD/IUPAC Name]
9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-6,7-dimethoxy-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
9-(2-Hydroxy-4,4-dimethyl-6-oxo-cyclohex-1-enyl)-6,7-dimethoxy-3,3-dimethyl-2,3,4,9-tetrahydro-xanthen-1-one
9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-6,7-dimethoxy-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one
933002-40-5 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 558.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.5±3.0 kJ/mol
    Flash Point: 185.8±23.6 °C
    Index of Refraction: 1.590
    Molar Refractivity: 114.5±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.21
    ACD/LogD (pH 5.5): 3.49
    ACD/BCF (pH 5.5): 168.17
    ACD/KOC (pH 5.5): 790.08
    ACD/LogD (pH 7.4): 1.72
    ACD/BCF (pH 7.4): 2.83
    ACD/KOC (pH 7.4): 13.31
    Polar Surface Area: 82 Å2
    Polarizability: 45.4±0.5 10-24cm3
    Surface Tension: 51.8±5.0 dyne/cm
    Molar Volume: 339.3±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement