ChemSpider 2D Image | [(3S,4aR,6aR,7R,10aS,10bR)-3,4a,7,10a-Tetramethyl-3-vinyldodecahydro-1H-benzo[f]chromen-7-yl]methanol | C20H34O2

[(3S,4aR,6aR,7R,10aS,10bR)-3,4a,7,10a-Tetramethyl-3-vinyldodecahydro-1H-benzo[f]chromen-7-yl]methanol

  • Molecular FormulaC20H34O2
  • Average mass306.483 Da
  • Monoisotopic mass306.255890 Da
  • ChemSpider ID33823556

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(3S,4aR,6aR,7R,10aS,10bR)-3,4a,7,10a-Tetramethyl-3-vinyldodecahydro-1H-benzo[f]chromen-7-yl]methanol [German] [ACD/IUPAC Name]
[(3S,4aR,6aR,7R,10aS,10bR)-3,4a,7,10a-Tetramethyl-3-vinyldodecahydro-1H-benzo[f]chromen-7-yl]methanol [ACD/IUPAC Name]
[(3S,4aR,6aR,7R,10aS,10bR)-3,4a,7,10a-Tétraméthyl-3-vinyldodécahydro-1H-benzo[f]chromén-7-yl]méthanol [French] [ACD/IUPAC Name]
1H-Naphtho[2,1-b]pyran-7-methanol, 3-ethenyldodecahydro-3,4a,7,10a-tetramethyl-, (3S,4aR,6aR,7R,10aS,10bR)- [ACD/Index Name]
[133005-15-9] [RN]
133005-15-9 [RN]
13-Epijhanol
MFCD23103676

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 378.9±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 72.5±6.0 kJ/mol
    Flash Point: 141.6±14.6 °C
    Index of Refraction: 1.518
    Molar Refractivity: 93.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 5.18
    ACD/LogD (pH 5.5): 5.40
    ACD/BCF (pH 5.5): 7509.89
    ACD/KOC (pH 5.5): 20690.41
    ACD/LogD (pH 7.4): 5.40
    ACD/BCF (pH 7.4): 7509.89
    ACD/KOC (pH 7.4): 20690.41
    Polar Surface Area: 29 Å2
    Polarizability: 36.9±0.5 10-24cm3
    Surface Tension: 39.6±3.0 dyne/cm
    Molar Volume: 307.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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