ChemSpider 2D Image | Norethindrone-3-ethyldienolether | C22H30O2

Norethindrone-3-ethyldienolether

  • Molecular FormulaC22H30O2
  • Average mass326.472 Da
  • Monoisotopic mass326.224579 Da
  • ChemSpider ID48062431

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(17α)-3-Ethoxy-19-norpregna-3,5-dien-20-in-17-ol [German] [ACD/IUPAC Name]
(17α)-3-Ethoxy-19-norpregna-3,5-dien-20-yn-17-ol [ACD/IUPAC Name]
(17α)-3-Éthoxy-19-norprégna-3,5-dién-20-yn-17-ol [French] [ACD/IUPAC Name]
6781946 [Beilstein]
96487-85-3 [RN]
Estra-3,5-dien-17-ol, 3-ethoxy-17-ethynyl-, (17α)- [ACD/Index Name]
L E5 B666 LU NUTJ E1 FQ F1UU1 OO2 &;&17α-Pregna Form [WLN]
Norethindrone-3-ethyldienolether
(8R,9S,10R,13S,14S,17R)-3-Ethoxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol
3-Ethoxy-19-nor-17a-pregna-3,5-dien-20-yn-17-ol
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 473.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 84.9±6.0 kJ/mol
    Flash Point: 206.8±23.0 °C
    Index of Refraction: 1.570
    Molar Refractivity: 96.1±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.12
    ACD/LogD (pH 5.5): 4.03
    ACD/BCF (pH 5.5): 683.34
    ACD/KOC (pH 5.5): 3720.80
    ACD/LogD (pH 7.4): 4.03
    ACD/BCF (pH 7.4): 683.34
    ACD/KOC (pH 7.4): 3720.79
    Polar Surface Area: 29 Å2
    Polarizability: 38.1±0.5 10-24cm3
    Surface Tension: 45.9±5.0 dyne/cm
    Molar Volume: 292.9±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement