ChemSpider 2D Image | cis-4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undeca-4-ene | C15H24

cis-4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undeca-4-ene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID24769532
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,4Z,9S)-4,11,11-Trimethyl-8-methylenbicyclo[7.2.0]undec-4-en [German] [ACD/IUPAC Name]
(1S,4Z,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene [ACD/IUPAC Name]
(1S,4Z,9S)-4,11,11-Triméthyl-8-méthylènebicyclo[7.2.0]undéc-4-ène [French] [ACD/IUPAC Name]
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4Z,9S)- [ACD/Index Name]
cis-4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undeca-4-ene
(1S,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
164204-21-1 [RN]
E'(+)-β-caryophyllene'

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 0.9±0.1 g/cm3
    Boiling Point: 268.4±10.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 48.6±0.8 kJ/mol
    Flash Point: 104.9±13.8 °C
    Index of Refraction: 1.495
    Molar Refractivity: 66.6±0.4 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 1
    ACD/LogP: 6.78
    ACD/LogD (pH 5.5): 6.47
    ACD/BCF (pH 5.5): 48384.44
    ACD/KOC (pH 5.5): 78504.51
    ACD/LogD (pH 7.4): 6.47
    ACD/BCF (pH 7.4): 48384.44
    ACD/KOC (pH 7.4): 78504.51
    Polar Surface Area: 0 Å2
    Polarizability: 26.4±0.5 10-24cm3
    Surface Tension: 29.7±5.0 dyne/cm
    Molar Volume: 228.5±5.0 cm3

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