ChemSpider 2D Image | (1S,3Z,5R,7S)-3-[Hydroxy(phenyl)methylene]-6,6-dimethyl-1,5,7-tris(3-methyl-2-buten-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione | C33H42O4

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

  • Molecular FormulaC33H42O4
  • Average mass502.684 Da
  • Monoisotopic mass502.308319 Da
  • ChemSpider ID7981853

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3Z,5R,7S)-3-[Hydroxy(phenyl)methylen]-6,6-dimethyl-1,5,7-tris(3-methyl-2-buten-1-yl)bicyclo[3.3.1]nonan-2,4,9-trion [German] [ACD/IUPAC Name]
(1S,3Z,5R,7S)-3-[Hydroxy(phenyl)methylene]-6,6-dimethyl-1,5,7-tris(3-methyl-2-buten-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione [ACD/IUPAC Name]
(1S,3Z,5R,7S)-3-[Hydroxy(phényl)méthylène]-6,6-diméthyl-1,5,7-tris(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, 3-(hydroxyphenylmethylene)-6,6-dimethyl-1,5,7-tris(3-methyl-2-buten-1-yl)-, (1S,3Z,5R,7S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 608.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 335.8±28.0 °C
Index of Refraction: 1.550
Molar Refractivity: 149.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.88
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 112882.87
ACD/KOC (pH 5.5): 72889.45
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 1947.27
ACD/KOC (pH 7.4): 1257.37
Polar Surface Area: 71 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 468.3±3.0 cm3

Click to predict properties on the Chemicalize site


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