ChemSpider 2D Image | (4aS,7S,7aR,12bR)-10-Methoxy-4,4a,7,7a-tetramethyl-1,2,4a,5,6,7,7a,8-octahydrobenzo[d]fluorene-9,12-dione | C22H28O3

(4aS,7S,7aR,12bR)-10-Methoxy-4,4a,7,7a-tetramethyl-1,2,4a,5,6,7,7a,8-octahydrobenzo[d]fluorene-9,12-dione

  • Molecular FormulaC22H28O3
  • Average mass340.456 Da
  • Monoisotopic mass340.203857 Da
  • ChemSpider ID44210822

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aS,7S,7aR,12bR)-10-Methoxy-4,4a,7,7a-tetramethyl-1,2,4a,5,6,7,7a,8-octahydrobenzo[d]fluoren-9,12-dion [German] [ACD/IUPAC Name]
(4aS,7S,7aR,12bR)-10-Methoxy-4,4a,7,7a-tetramethyl-1,2,4a,5,6,7,7a,8-octahydrobenzo[d]fluorene-9,12-dione [ACD/IUPAC Name]
(4aS,7S,7aR,12bR)-10-Méthoxy-4,4a,7,7a-tétraméthyl-1,2,4a,5,6,7,7a,8-octahydrobenzo[d]fluorène-9,12-dione [French] [ACD/IUPAC Name]
Benzo[d]fluorene-9,12-dione, 1,2,4a,5,6,7,7a,8-octahydro-10-methoxy-4,4a,7,7a-tetramethyl-, (4aS,7S,7aR,12bR)- [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: 464.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 201.6±28.8 °C
Index of Refraction: 1.566
Molar Refractivity: 96.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15858.92
ACD/KOC (pH 5.5): 35329.98
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15858.92
ACD/KOC (pH 7.4): 35329.98
Polar Surface Area: 43 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 296.0±5.0 cm3

Click to predict properties on the Chemicalize site


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