ChemSpider 2D Image | 2-Methyl-2-propanyl (8alpha,13alpha)-3-methoxy-17-oxoestra-1,3,5(10),9(11)-tetraen-18-oate | C23H28O4

2-Methyl-2-propanyl (8α,13α)-3-methoxy-17-oxoestra-1,3,5(10),9(11)-tetraen-18-oate

  • Molecular FormulaC23H28O4
  • Average mass368.466 Da
  • Monoisotopic mass368.198761 Da
  • ChemSpider ID30660096

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8α,13α)-3-Méthoxy-17-oxoestra-1,3,5(10),9(11)-tétraén-18-oate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (8α,13α)-3-methoxy-17-oxoestra-1,3,5(10),9(11)-tetraen-18-oate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(8α,13α)-3-methoxy-17-oxoestra-1,3,5(10),9(11)-tetraen-18-oat [German] [ACD/IUPAC Name]
Estra-1,3,5(10),9(11)-tetraen-18-oic acid, 3-methoxy-17-oxo-, 1,1-dimethylethyl ester, (8α,13α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 222.8±30.2 °C
Index of Refraction: 1.572
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1044.20
ACD/KOC (pH 5.5): 5040.19
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1044.20
ACD/KOC (pH 7.4): 5040.19
Polar Surface Area: 53 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 311.9±5.0 cm3

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