ChemSpider 2D Image | (4aS,4bR,7R,10aS)-10a-Isopropyl-3,7-dimethyl-4a,4b,5,6,7,8,10,10a-octahydro-1,4-phenanthrenedione | C19H26O2

(4aS,4bR,7R,10aS)-10a-Isopropyl-3,7-dimethyl-4a,4b,5,6,7,8,10,10a-octahydro-1,4-phenanthrenedione

  • Molecular FormulaC19H26O2
  • Average mass286.409 Da
  • Monoisotopic mass286.193268 Da
  • ChemSpider ID30657239

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aS,4bR,7R,10aS)-10a-Isopropyl-3,7-dimethyl-4a,4b,5,6,7,8,10,10a-octahydro-1,4-phenanthrendion [German] [ACD/IUPAC Name]
(4aS,4bR,7R,10aS)-10a-Isopropyl-3,7-dimethyl-4a,4b,5,6,7,8,10,10a-octahydro-1,4-phenanthrenedione [ACD/IUPAC Name]
(4aS,4bR,7R,10aS)-10a-Isopropyl-3,7-diméthyl-4a,4b,5,6,7,8,10,10a-octahydro-1,4-phénanthrènedione [French] [ACD/IUPAC Name]
1,4-Phenanthrenedione, 4a,4b,5,6,7,8,10,10a-octahydro-3,7-dimethyl-10a-(1-methylethyl)-, (4aS,4bR,7R,10aS)- [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: 409.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 153.4±25.7 °C
Index of Refraction: 1.535
Molar Refractivity: 83.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1936.73
ACD/KOC (pH 5.5): 7842.99
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1936.73
ACD/KOC (pH 7.4): 7842.99
Polar Surface Area: 34 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 38.8±5.0 dyne/cm
Molar Volume: 268.1±5.0 cm3

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