ChemSpider 2D Image | (7beta,8alpha,9beta,13alpha,14beta)-7-Methyl-3-methylene-19-norpregn-5(10)-en-20-yn-17-ol | C22H30O

(7β,8α,9β,13α,14β)-7-Methyl-3-methylene-19-norpregn-5(10)-en-20-yn-17-ol

  • Molecular FormulaC22H30O
  • Average mass310.473 Da
  • Monoisotopic mass310.229675 Da
  • ChemSpider ID114553721

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(7β,8α,9β,13α,14β)-7-Methyl-3-methylen-19-norpregn-5(10)-en-20-in-17-ol [German] [ACD/IUPAC Name]
(7β,8α,9β,13α,14β)-7-Methyl-3-methylene-19-norpregn-5(10)-en-20-yn-17-ol [ACD/IUPAC Name]
(7β,8α,9β,13α,14β)-7-Méthyl-3-méthylène-19-norprégn-5(10)-én-20-yn-17-ol [French] [ACD/IUPAC Name]
Estr-5(10)-en-17-ol, 17-ethynyl-7-methyl-3-methylene-, (7β,8α,9β,13α,14β,17α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 424.8±45.0 °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: 186.0±21.7 °C
Index of Refraction: 1.565
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12554.43
ACD/KOC (pH 5.5): 29888.72
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12554.40
ACD/KOC (pH 7.4): 29888.65
Polar Surface Area: 20 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 288.6±5.0 cm3

Click to predict properties on the Chemicalize site


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