ChemSpider 2D Image | 1-Benzoyl-7-(2-isopropenyl-5-methyl-4-hexen-1-yl)-6,6-dimethyl-3,5-bis(3-methyl-2-buten-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione | C38H50O4

1-Benzoyl-7-(2-isopropenyl-5-methyl-4-hexen-1-yl)-6,6-dimethyl-3,5-bis(3-methyl-2-buten-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione

  • Molecular FormulaC38H50O4
  • Average mass570.801 Da
  • Monoisotopic mass570.370911 Da
  • ChemSpider ID8407129

More details:

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

1-Benzoyl-7-(2-isopropenyl-5-methyl-4-hexen-1-yl)-6,6-dimethyl-3,5-bis(3-methyl-2-buten-1-yl)bicyclo[3.3.1]nonan-2,4,9-trion [German] [ACD/IUPAC Name]
1-Benzoyl-7-(2-isopropenyl-5-methyl-4-hexen-1-yl)-6,6-dimethyl-3,5-bis(3-methyl-2-buten-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione [ACD/IUPAC Name]
1-Benzoyl-7-(2-isopropényl-5-méthyl-4-hexén-1-yl)-6,6-diméthyl-3,5-bis(3-méthyl-2-butén-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]nonane-2,4,9-trione, 1-benzoyl-6,6-dimethyl-3,5-bis(3-methyl-2-buten-1-yl)-7-[5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 655.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 295.0±17.1 °C
Index of Refraction: 1.528
Molar Refractivity: 170.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 11.42
ACD/LogD (pH 5.5): 10.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8420452.00
Polar Surface Area: 68 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 554.5±3.0 cm3

Click to predict properties on the Chemicalize site


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