ChemSpider 2D Image | 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-pentylphenyl)-1-pentanone | C22H34O3

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

  • Molecular FormulaC22H34O3
  • Average mass346.504 Da
  • Monoisotopic mass346.250793 Da
  • ChemSpider ID21402674

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-pentylphenyl)- [ACD/Index Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-pentylphenyl)-1-pentanon [German] [ACD/IUPAC Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-pentylphenyl)-1-pentanone [ACD/IUPAC Name]
5-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(4-pentylphényl)-1-pentanone [French] [ACD/IUPAC Name]
898755-48-1 [RN]
5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-pentylphenyl)pentan-1-one
5-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-pentylvalerophenone
5-(5,5-dimethyl-1,3-dioxan-2-yl)-4-pentylvalerophenone
MFCD03844286 [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: 458.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 223.3±11.0 °C
Index of Refraction: 1.489
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 10928.27
ACD/KOC (pH 5.5): 27063.50
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10928.27
ACD/KOC (pH 7.4): 27063.50
Polar Surface Area: 36 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 355.8±3.0 cm3

Click to predict properties on the Chemicalize site


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