Found 1 result

Search term: 23275362 (Found by CSID)
ChemSpider 2D Image | 4-Acetyl-2-(3-butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-6,6-dimethyl-2,4-cyclohexadien-1-one | C22H26O8

4-Acetyl-2-(3-butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-6,6-dimethyl-2,4-cyclohexadien-1-one

  • Molecular FormulaC22H26O8
  • Average mass418.437 Da
  • Monoisotopic mass418.162781 Da
  • ChemSpider ID23275362

More details:

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

2,4-cyclohexadien-1-one, 4-acetyl-3,5-dihydroxy-6,6-dimethyl-2-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]- [ACD/Index Name]
4-acetyl-2-(3-butanoyl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
4-Acetyl-2-(3-butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-6,6-dimethyl-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-Acetyl-2-(3-butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-6,6-dimethyl-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
4-Acétyl-2-(3-butyryl-2,4,6-trihydroxy-5-méthylbenzyl)-3,5-dihydroxy-6,6-diméthyl-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
flavaspidic acid-AB

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 340.1±28.0 °C
Index of Refraction: 1.638
Molar Refractivity: 107.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 15.26
ACD/KOC (pH 5.5): 92.28
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 69.0±3.0 dyne/cm
Molar Volume: 299.6±3.0 cm3

Click to predict properties on the Chemicalize site


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