ChemSpider 2D Image | (1R,2S,3R,4S,4'S,5'R)-3-Chloro-3',4'-dimethyl-5'-phenylspiro[bicyclo[2.2.1]hept-5-ene-2,2'-[1,3]oxazolidine] | C17H20ClNO

(1R,2S,3R,4S,4'S,5'R)-3-Chloro-3',4'-dimethyl-5'-phenylspiro[bicyclo[2.2.1]hept-5-ene-2,2'-[1,3]oxazolidine]

  • Molecular FormulaC17H20ClNO
  • Average mass289.800 Da
  • Monoisotopic mass289.123352 Da
  • ChemSpider ID30658577

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3R,4S,4'S,5'R)-3-Chloro-3',4'-dimethyl-5'-phenylspiro[bicyclo[2.2.1]hept-5-ene-2,2'-[1,3]oxazolidine] [ACD/IUPAC Name]
Spiro[bicyclo[2.2.1]hept-5-ene-2,2'-oxazolidine], 3-chloro-3',4'-dimethyl-5'-phenyl-, (1R,2S,3R,4S,4'S,5'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: 419.2±45.0 °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: 207.3±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 81.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 140.16
ACD/KOC (pH 5.5): 1059.43
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 214.04
ACD/KOC (pH 7.4): 1617.86
Polar Surface Area: 12 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 235.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement