ChemSpider 2D Image | 1-(2,3-Dimethoxyphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone | C18H26O5

1-(2,3-Dimethoxyphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone

  • Molecular FormulaC18H26O5
  • Average mass322.396 Da
  • Monoisotopic mass322.178009 Da
  • ChemSpider ID21402699

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(2,3-Dimethoxyphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanon [German] [ACD/IUPAC Name]
1-(2,3-Dimethoxyphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone [ACD/IUPAC Name]
1-(2,3-Diméthoxyphényl)-4-(5,5-diméthyl-1,3-dioxan-2-yl)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-(2,3-dimethoxyphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)- [ACD/Index Name]
898756-01-9 [RN]
1-(2,3-dimethoxyphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)butan-1-one
2,3-dimethoxy-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
2',3'-dimethoxy-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
MFCD03844310 [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: 417.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 180.8±26.0 °C
Index of Refraction: 1.488
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.51
ACD/KOC (pH 5.5): 768.94
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.51
ACD/KOC (pH 7.4): 768.94
Polar Surface Area: 54 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 305.0±3.0 cm3

Click to predict properties on the Chemicalize site


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