ChemSpider 2D Image | 3-[(1R,5R)-3,3,5-Trimethylcyclohexyl]-3-[6-({[(1R,5S)-3,3,5-trimethylcyclohexyl]carbamoyl}amino)hexyl]urea | C26H50N4O2

3-[(1R,5R)-3,3,5-Trimethylcyclohexyl]-3-[6-({[(1R,5S)-3,3,5-trimethylcyclohexyl]carbamoyl}amino)hexyl]urea

  • Molecular FormulaC26H50N4O2
  • Average mass450.701 Da
  • Monoisotopic mass450.393372 Da
  • ChemSpider ID62674495

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-[(1R,5R)-3,3,5-Trimethylcyclohexyl]-3-[6-({[(1R,5S)-3,3,5-trimethylcyclohexyl]carbamoyl}amino)hexyl]harnstoff [German] [ACD/IUPAC Name]
3-[(1R,5R)-3,3,5-Trimethylcyclohexyl]-3-[6-({[(1R,5S)-3,3,5-trimethylcyclohexyl]carbamoyl}amino)hexyl]urea [ACD/IUPAC Name]
3-[(1R,5R)-3,3,5-Triméthylcyclohexyl]-3-[6-({[(1R,5S)-3,3,5-triméthylcyclohexyl]carbamoyl}amino)hexyl]urée [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 636.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 156.7±23.3 °C
Index of Refraction: 1.511
Molar Refractivity: 133.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 17853.34
ACD/KOC (pH 5.5): 38456.31
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 17853.26
ACD/KOC (pH 7.4): 38456.14
Polar Surface Area: 82 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 444.1±5.0 cm3

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