ChemSpider 2D Image | [(1S)-4,6-Dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate | C13H20O3

[(1S)-4,6-Dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate

  • Molecular FormulaC13H20O3
  • Average mass224.296 Da
  • Monoisotopic mass224.141251 Da
  • ChemSpider ID64860269

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

[(1S)-4,6-Dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate [ACD/IUPAC Name]
[(1S)-4,6-Dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl-acetat [German] [ACD/IUPAC Name]
3-Oxabicyclo[3.3.1]non-6-ene-1-methanol, 4,6-dimethyl-, acetate, (1S)- [ACD/Index Name]
Acétate de [(1S)-4,6-diméthyl-3-oxabicyclo[3.3.1]non-6-én-1-yl]méthyle [French] [ACD/IUPAC Name]
((1S,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate
1212431-08-7 [RN]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 286.1±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.5±3.0 kJ/mol
    Flash Point: 115.9±10.3 °C
    Index of Refraction: 1.480
    Molar Refractivity: 61.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.45
    ACD/LogD (pH 5.5): 3.17
    ACD/BCF (pH 5.5): 150.46
    ACD/KOC (pH 5.5): 1259.52
    ACD/LogD (pH 7.4): 3.17
    ACD/BCF (pH 7.4): 150.46
    ACD/KOC (pH 7.4): 1259.52
    Polar Surface Area: 36 Å2
    Polarizability: 24.3±0.5 10-24cm3
    Surface Tension: 32.4±3.0 dyne/cm
    Molar Volume: 215.3±3.0 cm3

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