ChemSpider 2D Image | 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-phenoxyphenyl)-1-pentanone | C23H28O4

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

  • Molecular FormulaC23H28O4
  • Average mass368.466 Da
  • Monoisotopic mass368.198761 Da
  • ChemSpider ID21402772

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-(3-phenoxyphenyl)- [ACD/Index Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-phenoxyphenyl)-1-pentanon [German] [ACD/IUPAC Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-phenoxyphenyl)-1-pentanone [ACD/IUPAC Name]
5-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(3-phénoxyphényl)-1-pentanone [French] [ACD/IUPAC Name]
5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-phenoxyphenyl)pentan-1-one
5-(5,5-dimethyl-1,3-dioxan-2-yl)-3'-phenoxyvalerophenone
5-(5,5-dimethyl-1,3-dioxan-2-yl)-3-phenoxyvalerophenone
898782-94-0 [RN]
MFCD03844382 [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: 488.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 210.8±24.6 °C
Index of Refraction: 1.526
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2159.74
ACD/KOC (pH 5.5): 8479.30
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2159.74
ACD/KOC (pH 7.4): 8479.30
Polar Surface Area: 45 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 344.0±3.0 cm3

Click to predict properties on the Chemicalize site


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