ChemSpider 2D Image | 2,2'-[(5-Hexanoyl-2,4,6-trihydroxy-1,3-phenylene)bis(2-methyl-1,1-propanediyl)]bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one) | C36H52O8

2,2'-[(5-Hexanoyl-2,4,6-trihydroxy-1,3-phenylene)bis(2-methyl-1,1-propanediyl)]bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one)

  • Molecular FormulaC36H52O8
  • Average mass612.793 Da
  • Monoisotopic mass612.366211 Da
  • ChemSpider ID59001789

More details:

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

2,2'-[(5-Hexanoyl-2,4,6-trihydroxy-1,3-phenylen)bis(2-methyl-1,1-propandiyl)]bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-on) [German] [ACD/IUPAC Name]
2,2'-[(5-Hexanoyl-2,4,6-trihydroxy-1,3-phenylene)bis(2-methyl-1,1-propanediyl)]bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one) [ACD/IUPAC Name]
2,2'-[(5-Hexanoyl-2,4,6-trihydroxy-1,3-phénylène)bis(2-méthyl-1,1-propanediyl)]bis(3-hydroxy-5,5-diméthyl-2-cyclohexén-1-one) [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 2,2'-[[2,4,6-trihydroxy-5-(1-oxohexyl)-1,3-phenylene]bis(2-methylpropylidene)]bis[3-hydroxy-5,5-dimethyl- [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: 741.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 416.4±29.4 °C
Index of Refraction: 1.575
Molar Refractivity: 170.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 9.34
ACD/LogD (pH 5.5): 7.13
ACD/BCF (pH 5.5): 77419.98
ACD/KOC (pH 5.5): 48244.77
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 18.13
ACD/KOC (pH 7.4): 11.30
Polar Surface Area: 152 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 516.6±3.0 cm3

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