ChemSpider 2D Image | (6Z,6'Z)-6,6'-{[2-({[(E)-(3-Methoxy-6-oxo-2,4-cyclohexadien-1-ylidene)methyl]amino}methyl)-2-methyl-1,3-propanediyl]bis[imino(Z)methylylidene]}bis(4-methoxy-2,4-cyclohexadien-1-one) | C29H33N3O6

(6Z,6'Z)-6,6'-{[2-({[(E)-(3-Methoxy-6-oxo-2,4-cyclohexadien-1-ylidene)methyl]amino}methyl)-2-methyl-1,3-propanediyl]bis[imino(Z)methylylidene]}bis(4-methoxy-2,4-cyclohexadien-1-one)

  • Molecular FormulaC29H33N3O6
  • Average mass519.589 Da
  • Monoisotopic mass519.236938 Da
  • ChemSpider ID4589561

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z,6'Z)-6,6'-{[2-({[(E)-(3-Methoxy-6-oxo-2,4-cyclohexadien-1-yliden)methyl]amino}methyl)-2-methyl-1,3-propandiyl]bis[imino(Z)methylyliden]}bis(4-methoxy-2,4-cyclohexadien-1-on) [German] [ACD/IUPAC Name]
(6Z,6'Z)-6,6'-{[2-({[(E)-(3-Methoxy-6-oxo-2,4-cyclohexadien-1-ylidene)methyl]amino}methyl)-2-methyl-1,3-propanediyl]bis[imino(Z)methylylidene]}bis(4-methoxy-2,4-cyclohexadien-1-one) [ACD/IUPAC Name]
(6Z,6'Z)-6,6'-{[2-({[(E)-(3-Méthoxy-6-oxo-2,4-cyclohexadién-1-ylidène)méthyl]amino}méthyl)-2-méthyl-1,3-propanediyl]bis[imino(Z)méthylylidène]}bis(4-méthoxy-2,4-cyclohexadién-1-one) [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 6,6'-[[2-[[[(E)-(3-methoxy-6-oxo-2,4-cyclohexadien-1-ylidene)methyl]amino]methyl]-2-methyl-1,3-propanediyl]bis[imino(Z)methylidyne]]bis[4-methoxy-, (6Z,6'Z)- [ACD/Index Name]
1,1,1-Tmsme
1,1,1-Tris(5-methoxysalicylaldiminomethyl)ethane
90148-94-0 [RN]
Gallium-68 1,1,1-tris(5-methoxysalicylaldiminomethyl)ethane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 780.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 425.8±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -0.34
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.33
ACD/KOC (pH 5.5): 63.47
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.37
ACD/KOC (pH 7.4): 64.61
Polar Surface Area: 115 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 417.0±5.0 cm3

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