ChemSpider 2D Image | Methyl 4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoate | C22H24O7

Methyl 4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoate

  • Molecular FormulaC22H24O7
  • Average mass400.422 Da
  • Monoisotopic mass400.152191 Da
  • ChemSpider ID78435370

More details:

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

4-[(2,4-Dihydroxy-6-méthylbenzoyl)oxy]-2-hydroxy-6-méthyl-3-(3-méthyl-2-butén-1-yl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)-, methyl ester [ACD/Index Name]
Methyl 4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoate [ACD/IUPAC Name]
Methyl-4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoat [German] [ACD/IUPAC Name]
Sterenin F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 590.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 203.5±23.6 °C
Index of Refraction: 1.605
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16343.79
ACD/KOC (pH 5.5): 35937.92
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 7156.85
ACD/KOC (pH 7.4): 15737.01
Polar Surface Area: 113 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 314.3±3.0 cm3

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