ChemSpider 2D Image | 2-Methyl-2-propanyl {3-[4-(adamantan-1-yl)-1,4-cyclohexadien-1-yl]propyl}[(1R,2S)-1-hydroxy-1-phenyl-2-propanyl]carbamate | C33H47NO3

2-Methyl-2-propanyl {3-[4-(adamantan-1-yl)-1,4-cyclohexadien-1-yl]propyl}[(1R,2S)-1-hydroxy-1-phenyl-2-propanyl]carbamate

  • Molecular FormulaC33H47NO3
  • Average mass505.731 Da
  • Monoisotopic mass505.355591 Da
  • ChemSpider ID17274025

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

{3-[4-(Adamantan-1-yl)-1,4-cyclohexadién-1-yl]propyl}[(1R,2S)-1-hydroxy-1-phényl-2-propanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {3-[4-(adamantan-1-yl)-1,4-cyclohexadien-1-yl]propyl}[(1R,2S)-1-hydroxy-1-phenyl-2-propanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{3-[4-(adamantan-1-yl)-1,4-cyclohexadien-1-yl]propyl}[(1R,2S)-1-hydroxy-1-phenyl-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-N-[3-(4-tricyclo[3.3.1.13,7]dec-1-yl-1,4-cyclohexadien-1-yl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 616.1±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 326.4±31.2 °C
Index of Refraction: 1.574
Molar Refractivity: 149.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.42
ACD/LogD (pH 5.5): 8.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 816012.69
ACD/LogD (pH 7.4): 8.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 816011.81
Polar Surface Area: 50 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 453.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement