ChemSpider 2D Image | 2-Allylestr-2-en-3-ol | C21H32O

2-Allylestr-2-en-3-ol

  • Molecular FormulaC21H32O
  • Average mass300.478 Da
  • Monoisotopic mass300.245331 Da
  • ChemSpider ID24540950

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1105693-07-9 [RN]
2-Allylestr-2-en-3-ol [ACD/IUPAC Name]
2-Allylestr-2-en-3-ol [German] [ACD/IUPAC Name]
2-Allylestr-2-én-3-ol [French] [ACD/IUPAC Name]
Estr-2-en-3-ol, 2-(2-propen-1-yl)- [ACD/Index Name]
(2S,11S,15S,1R,10R)-15-methyl-4-prop-2-enyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-4-en-5-ol
(8R,9R,10S,13S,14S)-13-methyl-2-prop-2-enyl-1,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
[432-60-0] [RN]
432-60-0 [RN]
allylestrenol [BAN] [INN] [JAN] [Wiki]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 415.6±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±6.0 kJ/mol
    Flash Point: 182.2±17.0 °C
    Index of Refraction: 1.537
    Molar Refractivity: 92.0±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 7.74
    ACD/LogD (pH 5.5): 6.37
    ACD/BCF (pH 5.5): 40791.26
    ACD/KOC (pH 5.5): 69474.73
    ACD/LogD (pH 7.4): 6.37
    ACD/BCF (pH 7.4): 40789.64
    ACD/KOC (pH 7.4): 69471.99
    Polar Surface Area: 20 Å2
    Polarizability: 36.5±0.5 10-24cm3
    Surface Tension: 36.7±3.0 dyne/cm
    Molar Volume: 294.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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