ChemSpider 2D Image | 4-(5,5-dimethyl-1,3-dioxan-2-yl)-3',5'-dimethyl-4'-methoxybutyrophenone | C19H28O4

4-(5,5-dimethyl-1,3-dioxan-2-yl)-3',5'-dimethyl-4'-methoxybutyrophenone

  • Molecular FormulaC19H28O4
  • Average mass320.423 Da
  • Monoisotopic mass320.198761 Da
  • ChemSpider ID21402639

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-methoxy-3,5-dimethylphenyl)- [ACD/Index Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-methoxy-3,5-dimethylphenyl)-1-butanon [German] [ACD/IUPAC Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-methoxy-3,5-dimethylphenyl)-1-butanone [ACD/IUPAC Name]
4-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(4-méthoxy-3,5-diméthylphényl)-1-butanone [French] [ACD/IUPAC Name]
4-(5,5-dimethyl-1,3-dioxan-2-yl)-3',5'-dimethyl-4'-methoxybutyrophenone
898786-75-9 [RN]
4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-one
MFCD03844263 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 444.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 193.1±27.4 °C
Index of Refraction: 1.491
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 414.55
ACD/KOC (pH 5.5): 2601.77
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 414.55
ACD/KOC (pH 7.4): 2601.77
Polar Surface Area: 45 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 313.5±3.0 cm3

Click to predict properties on the Chemicalize site






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