ChemSpider 2D Image | 5-Hydroxy-2,2,6,6-tetramethyl-4-{3-methyl-1-[2,4,6-trihydroxy-3-(3-methylbutanoyl)phenyl]butyl}-4-cyclohexene-1,3-dione | C26H36O7

5-Hydroxy-2,2,6,6-tetramethyl-4-{3-methyl-1-[2,4,6-trihydroxy-3-(3-methylbutanoyl)phenyl]butyl}-4-cyclohexene-1,3-dione

  • Molecular FormulaC26H36O7
  • Average mass460.560 Da
  • Monoisotopic mass460.246094 Da
  • ChemSpider ID59007017

More details:

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

4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-[3-methyl-1-[2,4,6-trihydroxy-3-(3-methyl-1-oxobutyl)phenyl]butyl]- [ACD/Index Name]
5-Hydroxy-2,2,6,6-tetramethyl-4-{3-methyl-1-[2,4,6-trihydroxy-3-(3-methylbutanoyl)phenyl]butyl}-4-cyclohexen-1,3-dion [German] [ACD/IUPAC Name]
5-Hydroxy-2,2,6,6-tetramethyl-4-{3-methyl-1-[2,4,6-trihydroxy-3-(3-methylbutanoyl)phenyl]butyl}-4-cyclohexene-1,3-dione [ACD/IUPAC Name]
5-Hydroxy-2,2,6,6-tétraméthyl-4-{3-méthyl-1-[2,4,6-trihydroxy-3-(3-méthylbutanoyl)phényl]butyl}-4-cyclohexène-1,3-dione [French] [ACD/IUPAC 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: 606.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 334.7±28.0 °C
Index of Refraction: 1.563
Molar Refractivity: 124.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 1486.41
ACD/KOC (pH 5.5): 3236.88
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 4.89
ACD/KOC (pH 7.4): 10.66
Polar Surface Area: 132 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 384.7±3.0 cm3

Click to predict properties on the Chemicalize site


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