ChemSpider 2D Image | [(1S,9R)-6,6,13-Trimethyl-11-oxatricyclo[7.3.1.0~2,7~]tridec-2-en-9-yl]methyl acetate | C18H28O3

[(1S,9R)-6,6,13-Trimethyl-11-oxatricyclo[7.3.1.02,7]tridec-2-en-9-yl]methyl acetate

  • Molecular FormulaC18H28O3
  • Average mass292.413 Da
  • Monoisotopic mass292.203857 Da
  • ChemSpider ID22886590

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

[(1S,9R)-6,6,13-Trimethyl-11-oxatricyclo[7.3.1.02,7]tridec-2-en-9-yl]methyl acetate [ACD/IUPAC Name]
[(1S,9R)-6,6,13-Trimethyl-11-oxatricyclo[7.3.1.02,7]tridec-2-en-9-yl]methyl-acetat [German] [ACD/IUPAC Name]
1,5-Methano-2H-3-benzoxocin-5(4H)-methanol, 1,6,6a,7,8,9-hexahydro-7,7,11-trimethyl-, acetate, (1S,5R)- [ACD/Index Name]
Acétate de [(1S,9R)-6,6,13-triméthyl-11-oxatricyclo[7.3.1.02,7]tridéc-2-én-9-yl]méthyle [French] [ACD/IUPAC Name]
1212459-78-3 [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: 368.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.6±3.0 kJ/mol
    Flash Point: 143.3±8.1 °C
    Index of Refraction: 1.515
    Molar Refractivity: 82.5±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.42
    ACD/LogD (pH 5.5): 4.57
    ACD/BCF (pH 5.5): 1736.16
    ACD/KOC (pH 5.5): 7252.64
    ACD/LogD (pH 7.4): 4.57
    ACD/BCF (pH 7.4): 1736.16
    ACD/KOC (pH 7.4): 7252.64
    Polar Surface Area: 36 Å2
    Polarizability: 32.7±0.5 10-24cm3
    Surface Tension: 37.8±5.0 dyne/cm
    Molar Volume: 273.7±5.0 cm3

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