ChemSpider 2D Image | (2E,2'E)-1,1'-[1,4-Butanediylbis(oxy-4,1-phenylene)]bis[3-(2,4-dimethoxyphenyl)-2-propen-1-one] | C38H38O8

(2E,2'E)-1,1'-[1,4-Butanediylbis(oxy-4,1-phenylene)]bis[3-(2,4-dimethoxyphenyl)-2-propen-1-one]

  • Molecular FormulaC38H38O8
  • Average mass622.703 Da
  • Monoisotopic mass622.256653 Da
  • ChemSpider ID23160046

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,2'E)-1,1'-[1,4-Butandiylbis(oxy-4,1-phenylen)]bis[3-(2,4-dimethoxyphenyl)-2-propen-1-on] [German] [ACD/IUPAC Name]
(2E,2'E)-1,1'-[1,4-Butanediylbis(oxy-4,1-phenylene)]bis[3-(2,4-dimethoxyphenyl)-2-propen-1-one] [ACD/IUPAC Name]
(2E,2'E)-1,1'-[1,4-Butanediylbis(oxy-4,1-phénylène)]bis[3-(2,4-diméthoxyphényl)-2-propén-1-one] [French] [ACD/IUPAC Name]
(2E,2'E)-1,1'-[butane-1,4-diylbis(oxybenzene-4,1-diyl)]bis[3-(2,4-dimethoxyphenyl)prop-2-en-1-one]
2-Propen-1-one, 1,1'-[1,4-butanediylbis(oxy-4,1-phenylene)]bis[3-(2,4-dimethoxyphenyl)-, (2E,2'E)- [ACD/Index Name]
(E)-3-(2,4-Dimethoxy-phenyl)-1-[4-(4-{4-[(E)-3-(2,4-dimethoxy-phenyl)-acryloyl]-phenoxy}-butoxy)-phenyl]-propenone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 797.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 325.2±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 181.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.45
ACD/LogD (pH 5.5): 7.35
ACD/BCF (pH 5.5): 227396.80
ACD/KOC (pH 5.5): 237662.86
ACD/LogD (pH 7.4): 7.35
ACD/BCF (pH 7.4): 227396.80
ACD/KOC (pH 7.4): 237662.86
Polar Surface Area: 90 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 528.1±3.0 cm3

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