ChemSpider 2D Image | 10-(1-Hydroxy-2-propyn-1-yl)-13-methyl-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-one | C21H28O2

10-(1-Hydroxy-2-propyn-1-yl)-13-methyl-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-one

  • Molecular FormulaC21H28O2
  • Average mass312.446 Da
  • Monoisotopic mass312.208923 Da
  • ChemSpider ID23172776

More details:

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

10-(1-Hydroxy-2-propin-1-yl)-13-methyl-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-on [German] [ACD/IUPAC Name]
10-(1-Hydroxy-2-propyn-1-yl)-13-methyl-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-one [ACD/IUPAC Name]
10-(1-Hydroxy-2-propyn-1-yl)-13-méthyl-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tétradécahydro-17H-cyclopenta[a]phénanthrén-17-one [French] [ACD/IUPAC Name]
10-(1-hydroxyprop-2-yn-1-yl)-13-methyl-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-one (non-preferred name)
10-(1-Hydroxy-prop-2-ynyl)-13-methyl-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 457.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±6.0 kJ/mol
Flash Point: 195.0±21.3 °C
Index of Refraction: 1.571
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 314.48
ACD/KOC (pH 5.5): 2134.95
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 314.48
ACD/KOC (pH 7.4): 2134.94
Polar Surface Area: 37 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 274.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement