ChemSpider 2D Image | (1E,4Z,6E)-1,7-Bis[4-(benzyloxy)-3-methoxyphenyl]-5-hydroxy-1,4,6-heptatrien-3-one | C35H32O6

(1E,4Z,6E)-1,7-Bis[4-(benzyloxy)-3-methoxyphenyl]-5-hydroxy-1,4,6-heptatrien-3-one

  • Molecular FormulaC35H32O6
  • Average mass548.625 Da
  • Monoisotopic mass548.219910 Da
  • ChemSpider ID127444312

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,4Z,6E)-1,7-Bis[4-(benzyloxy)-3-methoxyphenyl]-5-hydroxy-1,4,6-heptatrien-3-on [German] [ACD/IUPAC Name]
(1E,4Z,6E)-1,7-Bis[4-(benzyloxy)-3-methoxyphenyl]-5-hydroxy-1,4,6-heptatrien-3-one [ACD/IUPAC Name]
(1E,4Z,6E)-1,7-Bis[4-(benzyloxy)-3-méthoxyphényl]-5-hydroxy-1,4,6-heptatrién-3-one [French] [ACD/IUPAC Name]
1,4,6-Heptatrien-3-one, 5-hydroxy-1,7-bis[3-methoxy-4-(phenylmethoxy)phenyl]-, (1E,4Z,6E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 737.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 234.9±26.4 °C
Index of Refraction: 1.642
Molar Refractivity: 164.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35639.56
ACD/KOC (pH 5.5): 63049.23
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 32035.36
ACD/KOC (pH 7.4): 56673.10
Polar Surface Area: 74 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 454.2±3.0 cm3

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