ChemSpider 2D Image | 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-isopropoxyphenyl)-1-pentanone | C20H30O4

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

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID21402688

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-[4-(1-methylethoxy)phenyl]- [ACD/Index Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-isopropoxyphenyl)-1-pentanon [German] [ACD/IUPAC Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-isopropoxyphenyl)-1-pentanone [ACD/IUPAC Name]
5-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(4-isopropoxyphényl)-1-pentanone [French] [ACD/IUPAC Name]
5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-propan-2-yloxyphenyl)pentan-1-one
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-{4-[(propan-2-yl)oxy]phenyl}pentan-1-one
5-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-isopropoxyvalerophenone
5-(5,5-dimethyl-1,3-dioxan-2-yl)-4-isopropoxyvalerophenone
898755-83-4 [RN]
MFCD07700181 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 449.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 194.5±23.2 °C
Index of Refraction: 1.486
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 438.17
ACD/KOC (pH 5.5): 2707.03
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 438.17
ACD/KOC (pH 7.4): 2707.03
Polar Surface Area: 45 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 330.9±3.0 cm3

Click to predict properties on the Chemicalize site






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