ChemSpider 2D Image | 2,2'-[(2,4-Diphenyl-1,3-cyclobutanediyl)dicarbonyl]bis(3-hydroxy-5-methoxy-6,6-dimethyl-2,4-cyclohexadien-1-one) | C36H36O8

2,2'-[(2,4-Diphenyl-1,3-cyclobutanediyl)dicarbonyl]bis(3-hydroxy-5-methoxy-6,6-dimethyl-2,4-cyclohexadien-1-one)

  • Molecular FormulaC36H36O8
  • Average mass596.666 Da
  • Monoisotopic mass596.241028 Da
  • ChemSpider ID319774

More details:

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

2,2'-[(2,4-Diphenyl-1,3-cyclobutandiyl)dicarbonyl]bis(3-hydroxy-5-methoxy-6,6-dimethyl-2,4-cyclohexadien-1-on) [German] [ACD/IUPAC Name]
2,2'-[(2,4-Diphenyl-1,3-cyclobutanediyl)dicarbonyl]bis(3-hydroxy-5-methoxy-6,6-dimethyl-2,4-cyclohexadien-1-one) [ACD/IUPAC Name]
2,2'-[(2,4-Diphényl-1,3-cyclobutanediyl)dicarbonyl]bis(3-hydroxy-5-méthoxy-6,6-diméthyl-2,4-cyclohexadién-1-one) [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 2,2'-[(2,4-diphenyl-1,3-cyclobutanediyl)dicarbonyl]bis[3-hydroxy-5-methoxy-6,6-dimethyl- [ACD/Index Name]
α-Diceroptene
α-Diceroptene

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

NSC622184 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 792.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 250.9±26.4 °C
Index of Refraction: 1.634
Molar Refractivity: 161.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 41.54
ACD/KOC (pH 5.5): 210.99
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.73
Polar Surface Area: 127 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 452.3±5.0 cm3

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