ChemSpider 2D Image | 2,2'-[(2,4,6-Trihydroxy-5-isobutyryl-1,3-phenylene)bis(2-methyl-1,1-propanediyl)]bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one) | C34H48O8

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

  • Molecular FormulaC34H48O8
  • Average mass584.740 Da
  • Monoisotopic mass584.334900 Da
  • ChemSpider ID59001788

More details:

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

2,2'-[(2,4,6-Trihydroxy-5-isobutyryl-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'-[(2,4,6-Trihydroxy-5-isobutyryl-1,3-phenylene)bis(2-methyl-1,1-propanediyl)]bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one) [ACD/IUPAC Name]
2,2'-[(2,4,6-Trihydroxy-5-isobutyryl-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-(2-methyl-1-oxopropyl)-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: 721.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 404.1±29.4 °C
Index of Refraction: 1.581
Molar Refractivity: 161.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 8.09
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 7478.12
ACD/KOC (pH 5.5): 9011.70
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 2.47
ACD/KOC (pH 7.4): 2.98
Polar Surface Area: 152 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 483.9±3.0 cm3

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