ChemSpider 2D Image | 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone | C20H30O3

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID21402681

More details:






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

1-Butanone, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-[4-(1,1-dimethylethyl)phenyl]- [ACD/Index Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(2-methyl-2-propanyl)phenyl]-1-butanon [German] [ACD/IUPAC Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(2-methyl-2-propanyl)phenyl]-1-butanone [ACD/IUPAC Name]
4-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-[4-(2-méthyl-2-propanyl)phényl]-1-butanone [French] [ACD/IUPAC Name]
898755-67-4 [RN]
1-(4-tert-butylphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)butan-1-one
4'-tert-butyl-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
4-tert-butyl-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
MFCD03844292 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 421.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 200.4±11.0 °C
Index of Refraction: 1.486
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1677.49
ACD/KOC (pH 5.5): 7076.35
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1677.49
ACD/KOC (pH 7.4): 7076.35
Polar Surface Area: 36 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 323.6±3.0 cm3

Click to predict properties on the Chemicalize site






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