ChemSpider 2D Image | 4-[(1E,3S)-6-Hydroxy-3,7-dimethyl-3-vinyl-1,7-octadien-1-yl]phenol | C18H24O2

4-[(1E,3S)-6-Hydroxy-3,7-dimethyl-3-vinyl-1,7-octadien-1-yl]phenol

  • Molecular FormulaC18H24O2
  • Average mass272.382 Da
  • Monoisotopic mass272.177643 Da
  • ChemSpider ID28942456

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

178765-55-4 [RN]
4-[(1E,3S)-3-Ethenyl-6-hydroxy-3,7-dimethyl-1,7-octadien-1-yl]phenol
4-[(1E,3S)-6-Hydroxy-3,7-dimethyl-3-vinyl-1,7-octadien-1-yl]phenol [German] [ACD/IUPAC Name]
4-[(1E,3S)-6-Hydroxy-3,7-dimethyl-3-vinyl-1,7-octadien-1-yl]phenol [ACD/IUPAC Name]
4-[(1E,3S)-6-Hydroxy-3,7-diméthyl-3-vinyl-1,7-octadién-1-yl]phénol [French] [ACD/IUPAC Name]
Phenol, 4-[(1E,3S)-3-ethenyl-6-hydroxy-3,7-dimethyl-1,7-octadien-1-yl]- [ACD/Index Name]
12-Hydroxyisobakuchiol
4-?[(1E,?3S)?-?3-?ethenyl-?6-?hydroxy-?3,?7-?dimethyl-?1,?7-?octadien-?1-?yl]?-Phenol
4-[(1E,3S)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 431.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.4±3.0 kJ/mol
    Flash Point: 197.0±23.3 °C
    Index of Refraction: 1.565
    Molar Refractivity: 86.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.10
    ACD/LogD (pH 5.5): 3.92
    ACD/BCF (pH 5.5): 557.63
    ACD/KOC (pH 5.5): 3216.87
    ACD/LogD (pH 7.4): 3.91
    ACD/BCF (pH 7.4): 556.52
    ACD/KOC (pH 7.4): 3210.44
    Polar Surface Area: 40 Å2
    Polarizability: 34.3±0.5 10-24cm3
    Surface Tension: 39.9±3.0 dyne/cm
    Molar Volume: 265.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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