ChemSpider 2D Image | (4R,4aS,4bS,5R,10aR)-4-Hydroxy-2-isopropyl-4a,5-dimethyl-4a,4b,5,6,7,8,10,10a-octahydro-1(4H)-phenanthrenone | C19H28O2

(4R,4aS,4bS,5R,10aR)-4-Hydroxy-2-isopropyl-4a,5-dimethyl-4a,4b,5,6,7,8,10,10a-octahydro-1(4H)-phenanthrenone

  • Molecular FormulaC19H28O2
  • Average mass288.424 Da
  • Monoisotopic mass288.208923 Da
  • ChemSpider ID30657222

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R,4aS,4bS,5R,10aR)-4-Hydroxy-2-isopropyl-4a,5-dimethyl-4a,4b,5,6,7,8,10,10a-octahydro-1(4H)-phenanthrenon [German] [ACD/IUPAC Name]
(4R,4aS,4bS,5R,10aR)-4-Hydroxy-2-isopropyl-4a,5-dimethyl-4a,4b,5,6,7,8,10,10a-octahydro-1(4H)-phenanthrenone [ACD/IUPAC Name]
(4R,4aS,4bS,5R,10aR)-4-Hydroxy-2-isopropyl-4a,5-diméthyl-4a,4b,5,6,7,8,10,10a-octahydro-1(4H)-phénanthrénone [French] [ACD/IUPAC Name]
1(4H)-Phenanthrenone, 4a,4b,5,6,7,8,10,10a-octahydro-4-hydroxy-4a,5-dimethyl-2-(1-methylethyl)-, (4R,4aS,4bS,5R,10aR)- [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: 428.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±6.0 kJ/mol
Flash Point: 182.6±21.3 °C
Index of Refraction: 1.543
Molar Refractivity: 84.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2062.45
ACD/KOC (pH 5.5): 8204.13
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2062.45
ACD/KOC (pH 7.4): 8204.12
Polar Surface Area: 37 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 269.1±5.0 cm3

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