ChemSpider 2D Image | (1R,3E,5S,6S,7R)-3-[Hydroxy(phenyl)methylene]-6-methyl-1,5,7-tris(3-methyl-2-buten-1-yl)-6-(4-methyl-3-penten-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione | C38H50O4

(1R,3E,5S,6S,7R)-3-[Hydroxy(phenyl)methylene]-6-methyl-1,5,7-tris(3-methyl-2-buten-1-yl)-6-(4-methyl-3-penten-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione

  • Molecular FormulaC38H50O4
  • Average mass570.801 Da
  • Monoisotopic mass570.370911 Da
  • ChemSpider ID9810265

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3E,5S,6S,7R)-3-[Hydroxy(phenyl)methylen]-6-methyl-1,5,7-tris(3-methyl-2-buten-1-yl)-6-(4-methyl-3-penten-1-yl)bicyclo[3.3.1]nonan-2,4,9-trion [German] [ACD/IUPAC Name]
(1R,3E,5S,6S,7R)-3-[Hydroxy(phenyl)methylene]-6-methyl-1,5,7-tris(3-methyl-2-buten-1-yl)-6-(4-methyl-3-penten-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione [ACD/IUPAC Name]
(1R,3E,5S,6S,7R)-3-[Hydroxy(phényl)méthylène]-6-méthyl-1,5,7-tris(3-méthyl-2-butén-1-yl)-6-(4-méthyl-3-pentén-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]nonane-2,4,9-trione, 3-(hydroxyphenylmethylene)-6-methyl-1,5,7-tris(3-methyl-2-buten-1-yl)-6-(4-methyl-3-penten-1-yl)-, (1R,3E,5S,6S,7R)- [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: 658.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 365.9±28.0 °C
Index of Refraction: 1.545
Molar Refractivity: 172.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 12.12
ACD/LogD (pH 5.5): 9.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 777735.56
ACD/LogD (pH 7.4): 7.41
ACD/BCF (pH 7.4): 53190.77
ACD/KOC (pH 7.4): 13416.21
Polar Surface Area: 71 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 545.3±3.0 cm3

Click to predict properties on the Chemicalize site


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