ChemSpider 2D Image | 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-hexylphenyl)-1-pentanone | C23H36O3

5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-hexylphenyl)-1-pentanone

  • Molecular FormulaC23H36O3
  • Average mass360.530 Da
  • Monoisotopic mass360.266449 Da
  • ChemSpider ID21402675

More details:

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

1-Pentanone, 5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-hexylphenyl)- [ACD/Index Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-hexylphenyl)-1-pentanon [German] [ACD/IUPAC Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-hexylphenyl)-1-pentanone [ACD/IUPAC Name]
5-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(4-hexylphényl)-1-pentanone [French] [ACD/IUPAC Name]
5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-hexylphenyl)pentan-1-one
5-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-hexylvalerophenone
5-(5,5-dimethyl-1,3-dioxan-2-yl)-4-hexylvalerophenone
898755-51-6 [RN]
MFCD03844287 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 471.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 231.0±11.0 °C
Index of Refraction: 1.488
Molar Refractivity: 107.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21771.26
ACD/KOC (pH 5.5): 44324.43
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21771.26
ACD/KOC (pH 7.4): 44324.43
Polar Surface Area: 36 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 372.3±3.0 cm3

Click to predict properties on the Chemicalize site


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