ChemSpider 2D Image | 1-[4-(4-Methyl-3-penten-1-yl)-6-(2-phenylethyl)-3-cyclohexen-1-yl]-3-phenyl-1-propanone | C29H36O

1-[4-(4-Methyl-3-penten-1-yl)-6-(2-phenylethyl)-3-cyclohexen-1-yl]-3-phenyl-1-propanone

  • Molecular FormulaC29H36O
  • Average mass400.595 Da
  • Monoisotopic mass400.276611 Da
  • ChemSpider ID57257000

More details:

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

1-[4-(4-Methyl-3-penten-1-yl)-6-(2-phenylethyl)-3-cyclohexen-1-yl]-3-phenyl-1-propanon [German] [ACD/IUPAC Name]
1-[4-(4-Methyl-3-penten-1-yl)-6-(2-phenylethyl)-3-cyclohexen-1-yl]-3-phenyl-1-propanone [ACD/IUPAC Name]
1-[4-(4-Méthyl-3-pentén-1-yl)-6-(2-phényléthyl)-3-cyclohexén-1-yl]-3-phényl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-(4-methyl-3-penten-1-yl)-6-(2-phenylethyl)-3-cyclohexen-1-yl]-3-phenyl- [ACD/Index Name]
1-[4-(4-methylpent-3-enyl)-6-(2-phenylethyl)cyclohex-3-en-1-yl]-3-phenylpropan-1-one
1246282-67-6 [RN]
Officinaruminane B

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 523.1±49.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.7±3.0 kJ/mol
    Flash Point: 221.5±24.8 °C
    Index of Refraction: 1.546
    Molar Refractivity: 127.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 8.70
    ACD/LogD (pH 5.5): 8.11
    ACD/BCF (pH 5.5): 862395.75
    ACD/KOC (pH 5.5): 617089.38
    ACD/LogD (pH 7.4): 8.11
    ACD/BCF (pH 7.4): 862395.75
    ACD/KOC (pH 7.4): 617089.38
    Polar Surface Area: 17 Å2
    Polarizability: 50.4±0.5 10-24cm3
    Surface Tension: 38.2±3.0 dyne/cm
    Molar Volume: 401.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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