ChemSpider 2D Image | 5-(5,5-dimethyl-1,3-dioxan-2-yl)-3'-methoxyvalerophenone | C18H26O4

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

  • Molecular FormulaC18H26O4
  • Average mass306.397 Da
  • Monoisotopic mass306.183105 Da
  • ChemSpider ID21402627

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-methoxyphenyl)- [ACD/Index Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-methoxyphenyl)-1-pentanon [German] [ACD/IUPAC Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-methoxyphenyl)-1-pentanone [ACD/IUPAC Name]
5-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(3-méthoxyphényl)-1-pentanone [French] [ACD/IUPAC Name]
5-(5,5-dimethyl-1,3-dioxan-2-yl)-3'-methoxyvalerophenone
898786-51-1 [RN]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-methoxyphenyl)pentan-1-one
5-(5,5-dimethyl-1,3-dioxan-2-yl)-3-methoxyvalerophenone
97%
MFCD03844255 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 410.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 177.8±23.2 °C
Index of Refraction: 1.489
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 136.80
ACD/KOC (pH 5.5): 1176.56
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 136.80
ACD/KOC (pH 7.4): 1176.56
Polar Surface Area: 45 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 297.5±3.0 cm3

Click to predict properties on the Chemicalize site






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