ChemSpider 2D Image | 4-[Methyl(4-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}cyclohexyl)amino]cyclohexyl 3,4,5-trimethoxybenzoate | C35H47NO10

4-[Methyl(4-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}cyclohexyl)amino]cyclohexyl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC35H47NO10
  • Average mass641.748 Da
  • Monoisotopic mass641.320007 Da
  • ChemSpider ID17266352

  • Double-bond stereo - Double-bond stereo

More details:

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

3,4,5-Triméthoxybenzoate de 4-[méthyl(4-{[(2E)-3-(3,4,5-triméthoxyphényl)-2-propenoyl]oxy}cyclohexyl)amino]cyclohexyle [French] [ACD/IUPAC Name]
4-[Methyl(4-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}cyclohexyl)amino]cyclohexyl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
4-[Methyl(4-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}cyclohexyl)amino]cyclohexyl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
4-[methyl(4-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}cyclohexyl)amino]cyclohexyl 3,4,5-trimethoxybenzoate
Benzoic acid, 3,4,5-trimethoxy-, 4-[methyl[4-[[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]oxy]cyclohexyl]amino]cyclohexyl ester [ACD/Index Name]
4-(methyl(4-(3-(3,4,5-trimethoxyphenyl)acryloyloxy)cyclohexyl)amino)cyclohexyl 3,4,5-trimethoxybenzoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.2±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 171.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 2.11
ACD/KOC (pH 5.5): 7.93
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 10.35
ACD/KOC (pH 7.4): 38.86
Polar Surface Area: 111 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 526.2±5.0 cm3

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