ChemSpider 2D Image | [(1S)-4-Ethyl-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate | C15H24O3

[(1S)-4-Ethyl-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID64849884

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

[(1S)-4-Ethyl-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate [ACD/IUPAC Name]
[(1S)-4-Ethyl-6,8-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-ethyl-6,8-dimethyl-, acetate, (1S)- [ACD/Index Name]
Acétate de [(1S)-4-éthyl-6,8-diméthyl-3-oxabicyclo[3.3.1]non-6-én-1-yl]méthyle [French] [ACD/IUPAC Name]
((1S,5S)-4-ethyl-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate
1212480-29-9 [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: 314.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.5±3.0 kJ/mol
    Flash Point: 125.1±10.9 °C
    Index of Refraction: 1.470
    Molar Refractivity: 70.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.48
    ACD/LogD (pH 5.5): 3.60
    ACD/BCF (pH 5.5): 319.34
    ACD/KOC (pH 5.5): 2158.51
    ACD/LogD (pH 7.4): 3.60
    ACD/BCF (pH 7.4): 319.34
    ACD/KOC (pH 7.4): 2158.51
    Polar Surface Area: 36 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 30.0±3.0 dyne/cm
    Molar Volume: 252.9±3.0 cm3

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