ChemSpider 2D Image | 6-(5-{3-[5-(6-Hydroxy-5,5-dimethylhexyl)-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl]propyl}-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)-2,2-dimethylhexanoic acid | C35H54O5

6-(5-{3-[5-(6-Hydroxy-5,5-dimethylhexyl)-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl]propyl}-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)-2,2-dimethylhexanoic acid

  • Molecular FormulaC35H54O5
  • Average mass554.800 Da
  • Monoisotopic mass554.397095 Da
  • ChemSpider ID8295730

More details:

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

1,4-Cyclohexadiene-1-hexanoic acid, 5-[3-[5-(6-hydroxy-5,5-dimethylhexyl)-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl]propyl]-α,α,3,3-tetramethyl-6-oxo- [ACD/Index Name]
6-(5-{3-[5-(6-Hydroxy-5,5-dimethylhexyl)-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl]propyl}-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)-2,2-dimethylhexanoic acid [ACD/IUPAC Name]
6-(5-{3-[5-(6-Hydroxy-5,5-dimethylhexyl)-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl]propyl}-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)-2,2-dimethylhexansäure [German] [ACD/IUPAC Name]
Acide 6-(5-{3-[5-(6-hydroxy-5,5-diméthylhexyl)-3,3-diméthyl-6-oxo-1,4-cyclohexadién-1-yl]propyl}-3,3-diméthyl-6-oxo-1,4-cyclohexadién-1-yl)-2,2-diméthylhexanoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 686.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±6.0 kJ/mol
Flash Point: 383.2±28.0 °C
Index of Refraction: 1.508
Molar Refractivity: 161.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 37811.08
ACD/KOC (pH 5.5): 40101.17
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 613.22
ACD/KOC (pH 7.4): 650.36
Polar Surface Area: 92 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 543.4±3.0 cm3

Click to predict properties on the Chemicalize site


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