ChemSpider 2D Image | 11,12-Didehydroretinol | C20H28O

11,12-Didehydroretinol

  • Molecular FormulaC20H28O
  • Average mass284.436 Da
  • Monoisotopic mass284.214020 Da
  • ChemSpider ID31046073

  • Double-bond stereo - Double-bond stereo

More details:

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

11,12-Didehydroretinol [German] [ACD/IUPAC Name]
11,12-Didehydroretinol [ACD/IUPAC Name]
11,12-Didéhydrorétinol [French] [ACD/IUPAC Name]
Retinol, 11,12-didehydro- [ACD/Index Name]
(2E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-trien-4-yn-1-ol
11,12-Didehydro Retinol
29443-88-7 [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: 424.4±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.4±6.0 kJ/mol
    Flash Point: 186.6±17.0 °C
    Index of Refraction: 1.558
    Molar Refractivity: 93.4±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 7.16
    ACD/LogD (pH 5.5): 6.11
    ACD/BCF (pH 5.5): 25771.29
    ACD/KOC (pH 5.5): 50012.28
    ACD/LogD (pH 7.4): 6.11
    ACD/BCF (pH 7.4): 25771.29
    ACD/KOC (pH 7.4): 50012.28
    Polar Surface Area: 20 Å2
    Polarizability: 37.0±0.5 10-24cm3
    Surface Tension: 39.8±3.0 dyne/cm
    Molar Volume: 289.7±3.0 cm3

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