ChemSpider 2D Image | 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-isopropylphenyl)-1-pentanone | C20H30O3

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

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID21402679

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-(1-methylethyl)phenyl]- [ACD/Index Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-isopropylphenyl)-1-pentanon [German] [ACD/IUPAC Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-isopropylphenyl)-1-pentanone [ACD/IUPAC Name]
5-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(4-isopropylphényl)-1-pentanone [French] [ACD/IUPAC Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(1-methylethyl)phenyl]-1-pentanone
898755-62-9 [RN]
5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-propan-2-ylphenyl)pentan-1-one
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(propan-2-yl)phenyl]pentan-1-one
5-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-isopropylvalerophenone
5-(5,5-dimethyl-1,3-dioxan-2-yl)-4-isopropylvalerophenone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 430.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 206.1±9.6 °C
Index of Refraction: 1.489
Molar Refractivity: 93.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1114.73
ACD/KOC (pH 5.5): 5281.56
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1114.73
ACD/KOC (pH 7.4): 5281.56
Polar Surface Area: 36 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 323.5±3.0 cm3

Click to predict properties on the Chemicalize site






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