ChemSpider 2D Image | 5-Hydroxy-4-(2-methylbutanoyl)-2,2,6-tris(3-methyl-2-buten-1-yl)-4-cyclohexene-1,3-dione | C26H38O4

5-Hydroxy-4-(2-methylbutanoyl)-2,2,6-tris(3-methyl-2-buten-1-yl)-4-cyclohexene-1,3-dione

  • Molecular FormulaC26H38O4
  • Average mass414.578 Da
  • Monoisotopic mass414.277008 Da
  • ChemSpider ID35013143

More details:

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

4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6-tris(3-methyl-2-buten-1-yl)-4-(2-methyl-1-oxobutyl)- [ACD/Index Name]
5-Hydroxy-4-(2-methylbutanoyl)-2,2,6-tris(3-methyl-2-buten-1-yl)-4-cyclohexen-1,3-dion [German] [ACD/IUPAC Name]
5-Hydroxy-4-(2-methylbutanoyl)-2,2,6-tris(3-methyl-2-buten-1-yl)-4-cyclohexene-1,3-dione [ACD/IUPAC Name]
5-Hydroxy-4-(2-méthylbutanoyl)-2,2,6-tris(3-méthyl-2-butén-1-yl)-4-cyclohexène-1,3-dione [French] [ACD/IUPAC Name]
28374-71-2 [RN]
5-Hydroxy-2,2,6-tris(3-methyl-2-buten-1-yl)-4-(2-methyl-1-oxobutyl)-4-cyclohexene-1,3-dione
5-hydroxy-2,2,6-tris(3-methylbut-2-en-1-yl)-4-(2-methylbutanoyl)cyclohex-4-ene-1,3-dione
5-hydroxy-4-(2-methylbutanoyl)-2,6,6-tris(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
Adlupulone

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 530.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.7±6.0 kJ/mol
Flash Point: 288.7±26.6 °C
Index of Refraction: 1.509
Molar Refractivity: 121.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 8.42
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 7132.07
ACD/KOC (pH 5.5): 10095.74
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 123.03
ACD/KOC (pH 7.4): 174.15
Polar Surface Area: 71 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 406.8±3.0 cm3

Click to predict properties on the Chemicalize site


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