ChemSpider 2D Image | 5-Hydroxy-2,2,6,6-tetramethyl-4-[3-methyl-1-(2,4,6-trihydroxy-3-isobutyrylphenyl)butyl]-4-cyclohexene-1,3-dione | C25H34O7

5-Hydroxy-2,2,6,6-tetramethyl-4-[3-methyl-1-(2,4,6-trihydroxy-3-isobutyrylphenyl)butyl]-4-cyclohexene-1,3-dione

  • Molecular FormulaC25H34O7
  • Average mass446.533 Da
  • Monoisotopic mass446.230438 Da
  • ChemSpider ID22370080

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-(2-methyl-1-oxopropyl)phenyl]butyl]- [ACD/Index Name]
5-Hydroxy-2,2,6,6-tetramethyl-4-[3-methyl-1-(2,4,6-trihydroxy-3-isobutyrylphenyl)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-isobutyrylphenyl)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-isobutyrylphényl)butyl]-4-cyclohexène-1,3-dione [French] [ACD/IUPAC Name]
2-[1-(2-Hydroxy-3,3,5,5-tetramethyl-4,6-dioxo-1-cyclohexenyl)-3-methylbutyl]-4-(2-methylpropanoyl)benzene-1,3,5-triol
5-hydroxy-2,2,6,6-tetramethyl-4-[3-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]butyl]cyclohex-4-ene-1,3-dione
Compound NP-003691

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

Density: 1.2±0.1 g/cm3
Boiling Point: 597.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 329.0±26.6 °C
Index of Refraction: 1.567
Molar Refractivity: 120.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 734.92
ACD/KOC (pH 5.5): 1973.22
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 4.94
ACD/KOC (pH 7.4): 13.25
Polar Surface Area: 132 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 368.2±3.0 cm3

Click to predict properties on the Chemicalize site


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