ChemSpider 2D Image | (1R,2S,5S,8S)-9-Isopropylidene-2-methyl-6-methylene-11-oxatricyclo[6.2.1.0~1,5~]undecan-8-ol | C15H22O2

(1R,2S,5S,8S)-9-Isopropylidene-2-methyl-6-methylene-11-oxatricyclo[6.2.1.01,5]undecan-8-ol

  • Molecular FormulaC15H22O2
  • Average mass234.334 Da
  • Monoisotopic mass234.161987 Da
  • ChemSpider ID60599373

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,5S,8S)-9-Isopropyliden-2-methyl-6-methylen-11-oxatricyclo[6.2.1.01,5]undecan-8-ol [German] [ACD/IUPAC Name]
(1R,2S,5S,8S)-9-Isopropylidene-2-methyl-6-methylene-11-oxatricyclo[6.2.1.01,5]undecan-8-ol [ACD/IUPAC Name]
(1R,2S,5S,8S)-9-Isopropylidène-2-méthyl-6-méthylène-11-oxatricyclo[6.2.1.01,5]undécan-8-ol [French] [ACD/IUPAC Name]
6H-3a,6-Epoxyazulen-6-ol, octahydro-3-methyl-8-methylene-5-(1-methylethylidene)-, (3S,3aR,6S,8aS)- [ACD/Index Name]
24063-71-6 [RN]
Isocurcumenol
isourecumenol
MFCD03792802

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 351.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 69.0±6.0 kJ/mol
    Flash Point: 147.9±22.1 °C
    Index of Refraction: 1.546
    Molar Refractivity: 67.6±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.46
    ACD/LogD (pH 5.5): 2.87
    ACD/BCF (pH 5.5): 88.98
    ACD/KOC (pH 5.5): 864.82
    ACD/LogD (pH 7.4): 2.87
    ACD/BCF (pH 7.4): 88.98
    ACD/KOC (pH 7.4): 864.81
    Polar Surface Area: 29 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 39.0±5.0 dyne/cm
    Molar Volume: 213.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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