ChemSpider 2D Image | (8aR)-8a-Benzyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione | C17H18O2

(8aR)-8a-Benzyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione

  • Molecular FormulaC17H18O2
  • Average mass254.324 Da
  • Monoisotopic mass254.130676 Da
  • ChemSpider ID30658819

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8aR)-8a-Benzyl-3,4,8,8a-tétrahydro-1,6(2H,7H)-naphtalènedione [French] [ACD/IUPAC Name]
(8aR)-8a-Benzyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione [ACD/IUPAC Name]
(8aR)-8a-Benzyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalindion [German] [ACD/IUPAC Name]
1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(phenylmethyl)-, (8aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 433.8±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 162.0±22.7 °C
Index of Refraction: 1.581
Molar Refractivity: 73.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.02
ACD/KOC (pH 5.5): 667.92
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.02
ACD/KOC (pH 7.4): 667.92
Polar Surface Area: 34 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 220.6±5.0 cm3

Click to predict properties on the Chemicalize site


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