ChemSpider 2D Image | 4-METHYL-ETHINYLESTRADIOL | C21H26O2

4-METHYL-ETHINYLESTRADIOL

  • Molecular FormulaC21H26O2
  • Average mass310.430 Da
  • Monoisotopic mass310.193268 Da
  • ChemSpider ID31046851

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17α)-4,9-Cyclo-9,10-secopregna-1,3,5(10)-trien-20-in-1,17-diol [German] [ACD/IUPAC Name]
(17α)-4,9-Cyclo-9,10-secopregna-1,3,5(10)-trien-20-yne-1,17-diol [ACD/IUPAC Name]
(17α)-4,9-Cyclo-9,10-sécoprégna-1,3,5(10)-trién-20-yne-1,17-diol [French] [ACD/IUPAC Name]
155683-61-7 [RN]
4-METHYL-ETHINYLESTRADIOL
Estra-1(10),2,4-triene-3,17-diol, 17-ethynyl-4-methyl-, (17β)- [ACD/Index Name]
(8R,9S,13S,14S,17R)-17-ethynyl-4,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
4-Methyl ethynyl estradiol
ETHYNYLESTRADIOL-4-METHYL
missing
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 465.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.6±3.0 kJ/mol
    Flash Point: 212.2±23.3 °C
    Index of Refraction: 1.616
    Molar Refractivity: 90.9±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.98
    ACD/LogD (pH 5.5): 4.22
    ACD/BCF (pH 5.5): 956.42
    ACD/KOC (pH 5.5): 4733.12
    ACD/LogD (pH 7.4): 4.22
    ACD/BCF (pH 7.4): 955.84
    ACD/KOC (pH 7.4): 4730.26
    Polar Surface Area: 40 Å2
    Polarizability: 36.0±0.5 10-24cm3
    Surface Tension: 55.6±5.0 dyne/cm
    Molar Volume: 260.2±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement