ChemSpider 2D Image | 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-phenoxyphenyl)-1-butanone | C22H26O4

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-phenoxyphenyl)-1-butanone

  • Molecular FormulaC22H26O4
  • Average mass354.439 Da
  • Monoisotopic mass354.183105 Da
  • ChemSpider ID21402690

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-phenoxyphenyl)- [ACD/Index Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-phenoxyphenyl)-1-butanon [German] [ACD/IUPAC Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-phenoxyphenyl)-1-butanone [ACD/IUPAC Name]
4-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(4-phénoxyphényl)-1-butanone [French] [ACD/IUPAC Name]
4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-phenoxyphenyl)butan-1-one
4-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-phenoxybutyrophenone
4-(5,5-dimethyl-1,3-dioxan-2-yl)-4-phenoxybutyrophenone
898755-86-7 [RN]
MFCD03844302 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 477.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 207.2±24.6 °C
Index of Refraction: 1.529
Molar Refractivity: 101.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1676.47
ACD/KOC (pH 5.5): 7073.26
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1676.47
ACD/KOC (pH 7.4): 7073.26
Polar Surface Area: 45 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 327.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement