ChemSpider 2D Image | (3aR,3a'R)-3,3,3',3'-Tetraisopropyl-3,3',3a,3a',4,4',5,5'-octahydro-6,6'-spirobi[cyclopenta[c][1,2]oxazole] | C23H38N2O2

(3aR,3a'R)-3,3,3',3'-Tetraisopropyl-3,3',3a,3a',4,4',5,5'-octahydro-6,6'-spirobi[cyclopenta[c][1,2]oxazole]

  • Molecular FormulaC23H38N2O2
  • Average mass374.560 Da
  • Monoisotopic mass374.293335 Da
  • ChemSpider ID28415475

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,3a'R)-3,3,3',3'-Tetraisopropyl-3,3',3a,3a',4,4',5,5'-octahydro-6,6'-spirobi[cyclopenta[c][1,2]oxazole] [ACD/IUPAC Name]
6,6'-Spirobi[6H-cyclopent[c]isoxazole], 3,3',3a,3'a,4,4',5,5'-octahydro-3,3,3',3'-tetrakis(1-methylethyl)-, (3aR,3a'R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 442.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 178.1±24.0 °C
Index of Refraction: 1.585
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 206683.00
ACD/KOC (pH 5.5): 221957.88
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 206683.00
ACD/KOC (pH 7.4): 221957.88
Polar Surface Area: 43 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 36.2±7.0 dyne/cm
Molar Volume: 320.2±7.0 cm3

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