ChemSpider 2D Image | [(1S,4aR,7R,8aR)-7-Methyl-3-oxo-1-phenyloctahydro-4a(2H)-naphthalenyl]malononitrile | C20H22N2O

[(1S,4aR,7R,8aR)-7-Methyl-3-oxo-1-phenyloctahydro-4a(2H)-naphthalenyl]malononitrile

  • Molecular FormulaC20H22N2O
  • Average mass306.401 Da
  • Monoisotopic mass306.173218 Da
  • ChemSpider ID24743826

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1S,4aR,7R,8aR)-7-Méthyl-3-oxo-1-phényloctahydro-4a(2H)-naphtalényl]malononitrile [French] [ACD/IUPAC Name]
[(1S,4aR,7R,8aR)-7-Methyl-3-oxo-1-phenyloctahydro-4a(2H)-naphthalenyl]malononitrile [ACD/IUPAC Name]
[(1S,4aR,7R,8aR)-7-Methyl-3-oxo-1-phenyloctahydro-4a(2H)-naphthalinyl]malononitril [German] [ACD/IUPAC Name]
Propanedinitrile, 2-[(1S,4aR,7R,8aR)-octahydro-7-methyl-3-oxo-1-phenyl-4a(2H)-naphthalenyl]- [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: 501.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.8±24.6 °C
Index of Refraction: 1.551
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 638.18
ACD/KOC (pH 5.5): 3543.06
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 638.18
ACD/KOC (pH 7.4): 3543.06
Polar Surface Area: 65 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 272.7±3.0 cm3

Click to predict properties on the Chemicalize site


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