ChemSpider 2D Image | 17-Oxoestra-1,3,5(10)-trien-3-yl 3-(3,3-dimethyl-1-piperidinyl)propanoate | C28H39NO3

17-Oxoestra-1,3,5(10)-trien-3-yl 3-(3,3-dimethyl-1-piperidinyl)propanoate

  • Molecular FormulaC28H39NO3
  • Average mass437.614 Da
  • Monoisotopic mass437.292999 Da
  • ChemSpider ID22875385

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

17-Oxoestra-1,3,5(10)-trien-3-yl 3-(3,3-dimethyl-1-piperidinyl)propanoate [ACD/IUPAC Name]
17-Oxoestra-1,3,5(10)-trien-3-yl-3-(3,3-dimethyl-1-piperidinyl)propanoat [German] [ACD/IUPAC Name]
1-Piperidinepropanoic acid, 3,3-dimethyl-, 17-oxoestra-1,3,5(10)-trien-3-yl ester [ACD/Index Name]
3-(3,3-Diméthyl-1-pipéridinyl)propanoate de 17-oxoestra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl 3-(3,3-dimethylpiperidin-1-yl)propanoate
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 3-(3,3-dimethylpiperidin-1-yl)propanoate
1030387-46-2 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 568.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.3±3.0 kJ/mol
    Flash Point: 297.7±30.1 °C
    Index of Refraction: 1.543
    Molar Refractivity: 126.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 6.21
    ACD/LogD (pH 5.5): 2.32
    ACD/BCF (pH 5.5): 6.99
    ACD/KOC (pH 5.5): 21.54
    ACD/LogD (pH 7.4): 3.83
    ACD/BCF (pH 7.4): 229.26
    ACD/KOC (pH 7.4): 706.34
    Polar Surface Area: 47 Å2
    Polarizability: 50.0±0.5 10-24cm3
    Surface Tension: 40.3±3.0 dyne/cm
    Molar Volume: 399.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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