ChemSpider 2D Image | [(3S,3aS)-2-Phenyl-3-(2,3,5-trichlorophenyl)hexahydro-3aH-cyclopenta[d][1,2]oxazol-3a-yl]methanol | C19H18Cl3NO2

[(3S,3aS)-2-Phenyl-3-(2,3,5-trichlorophenyl)hexahydro-3aH-cyclopenta[d][1,2]oxazol-3a-yl]methanol

  • Molecular FormulaC19H18Cl3NO2
  • Average mass398.711 Da
  • Monoisotopic mass397.040314 Da
  • ChemSpider ID30650021

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

[(3S,3aS)-2-Phenyl-3-(2,3,5-trichlorophenyl)hexahydro-3aH-cyclopenta[d][1,2]oxazol-3a-yl]methanol [ACD/IUPAC Name]
[(3S,3aS)-2-Phényl-3-(2,3,5-trichlorophényl)hexahydro-3aH-cyclopenta[d][1,2]oxazol-3a-yl]méthanol [French] [ACD/IUPAC Name]
[(3S,3aS)-2-Phenyl-3-(2,3,5-trichlorphenyl)hexahydro-3aH-cyclopenta[d][1,2]oxazol-3a-yl]methanol [German] [ACD/IUPAC Name]
3aH-Cyclopent[d]isoxazole-3a-methanol, hexahydro-2-phenyl-3-(2,3,5-trichlorophenyl)-, (3S,3aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 487.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 248.8±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4162.57
ACD/KOC (pH 5.5): 13562.15
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4162.68
ACD/KOC (pH 7.4): 13562.54
Polar Surface Area: 33 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 282.6±3.0 cm3

Click to predict properties on the Chemicalize site


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