ChemSpider 2D Image | trans-4-[({2-[(3-Hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid | C28H39NO6

trans-4-[({2-[(3-Hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid

  • Molecular FormulaC28H39NO6
  • Average mass485.612 Da
  • Monoisotopic mass485.277740 Da
  • ChemSpider ID21834744

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Acide trans-4-[({2-[(3-hexyl-4,8-diméthyl-2-oxo-2H-chromén-7-yl)oxy]propanoyl}amino)méthyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans- [ACD/Index Name]
trans-4-[({2-[(3-Hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-[({2-[(3-Hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
4-{[2-(3-Hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yloxy)-propionylamino]-methyl}-cyclohexanecarboxylic acid
4-{[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yloxy)propanoylamino]methyl}cyclohexanecarboxylic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 707.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 381.6±32.9 °C
Index of Refraction: 1.535
Molar Refractivity: 133.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 3865.59
ACD/KOC (pH 5.5): 7821.37
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 62.63
ACD/KOC (pH 7.4): 126.72
Polar Surface Area: 102 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 427.5±3.0 cm3

Click to predict properties on the Chemicalize site


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