ChemSpider 2D Image | 5-Hydroxy-2-isobutyryl-4,6,6-tris(3-methyl-2-buten-1-yl)-4-cyclohexene-1,3-dione | C25H36O4

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

  • Molecular FormulaC25H36O4
  • Average mass400.551 Da
  • Monoisotopic mass400.261353 Da
  • ChemSpider ID35013126

More details:

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

4-Cyclohexene-1,3-dione, 5-hydroxy-4,6,6-tris(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxopropyl)- [ACD/Index Name]
5-Hydroxy-2-isobutyryl-4,6,6-tris(3-methyl-2-buten-1-yl)-4-cyclohexen-1,3-dion [German] [ACD/IUPAC Name]
5-Hydroxy-2-isobutyryl-4,6,6-tris(3-methyl-2-buten-1-yl)-4-cyclohexene-1,3-dione [ACD/IUPAC Name]
5-Hydroxy-2-isobutyryl-4,6,6-tris(3-méthyl-2-butén-1-yl)-4-cyclohexène-1,3-dione [French] [ACD/IUPAC Name]
468-27-9 [RN]
5-hydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione
colupulone
co-lupulone

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: 519.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.2±6.0 kJ/mol
Flash Point: 282.1±26.6 °C
Index of Refraction: 1.510
Molar Refractivity: 116.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.54
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 3680.46
ACD/KOC (pH 5.5): 4496.13
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 7.29
ACD/KOC (pH 7.4): 8.91
Polar Surface Area: 71 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 390.3±3.0 cm3

Click to predict properties on the Chemicalize site


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