ChemSpider 2D Image | (1R,9S,12S)-9,11-Dimethyl-8,15-dioxatetracyclo[10.2.2.0~2,7~.0~9,14~]hexadeca-2,4,6-triene | C16H20O2

(1R,9S,12S)-9,11-Dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene

  • Molecular FormulaC16H20O2
  • Average mass244.329 Da
  • Monoisotopic mass244.146332 Da
  • ChemSpider ID22870744

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1R,9S,12S)-9,11-Dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-trien [German] [ACD/IUPAC Name]
(1R,9S,12S)-9,11-Dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene [ACD/IUPAC Name]
(1R,9S,12S)-9,11-Diméthyl-8,15-dioxatétracyclo[10.2.2.02,7.09,14]hexadéca-2,4,6-triène [French] [ACD/IUPAC Name]
3,5-Ethano-2H,5H-pyrano[3,2-c][1]benzopyran, 3,4,4a,10b-tetrahydro-5,12-dimethyl-, (3S,5S,10bR)- [ACD/Index Name]
1212446-27-9 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 336.4±31.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.7±3.0 kJ/mol
    Flash Point: 128.4±24.4 °C
    Index of Refraction: 1.546
    Molar Refractivity: 70.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 4.03
    ACD/LogD (pH 5.5): 4.42
    ACD/BCF (pH 5.5): 1337.98
    ACD/KOC (pH 5.5): 6018.83
    ACD/LogD (pH 7.4): 4.42
    ACD/BCF (pH 7.4): 1337.98
    ACD/KOC (pH 7.4): 6018.83
    Polar Surface Area: 18 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 41.4±3.0 dyne/cm
    Molar Volume: 221.6±3.0 cm3

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