ChemSpider 2D Image | 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-isopropoxyphenyl)-1-butanone | C19H28O4

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

  • Molecular FormulaC19H28O4
  • Average mass320.423 Da
  • Monoisotopic mass320.198761 Da
  • ChemSpider ID21402687

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-methylethoxy)phenyl]- [ACD/Index Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-isopropoxyphenyl)-1-butanon [German] [ACD/IUPAC Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-isopropoxyphenyl)-1-butanone [ACD/IUPAC Name]
4-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(4-isopropoxyphényl)-1-butanone [French] [ACD/IUPAC Name]
4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-propan-2-yloxyphenyl)butan-1-one
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-{4-[(propan-2-yl)oxy]phenyl}butan-1-one
4-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-isopropoxybutyrophenone
4-(5,5-dimethyl-1,3-dioxan-2-yl)-4-isopropoxybutyrophenone
898755-81-2 [RN]
MFCD07700180 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 437.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 189.6±23.2 °C
Index of Refraction: 1.487
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 312.58
ACD/KOC (pH 5.5): 2125.70
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 312.58
ACD/KOC (pH 7.4): 2125.70
Polar Surface Area: 45 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 314.3±3.0 cm3

Click to predict properties on the Chemicalize site






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