ChemSpider 2D Image | 1-(2-{[(2S,3S)-6-Methoxy-1,1-dimethyl-2,3-diphenyl-2,3-dihydro-1H-inden-4-yl]oxy}ethyl)pyrrolidine | C30H35NO2

1-(2-{[(2S,3S)-6-Methoxy-1,1-dimethyl-2,3-diphenyl-2,3-dihydro-1H-inden-4-yl]oxy}ethyl)pyrrolidine

  • Molecular FormulaC30H35NO2
  • Average mass441.604 Da
  • Monoisotopic mass441.266785 Da
  • ChemSpider ID29405110

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(2-{[(2S,3S)-6-Methoxy-1,1-dimethyl-2,3-diphenyl-2,3-dihydro-1H-inden-4-yl]oxy}ethyl)pyrrolidin [German] [ACD/IUPAC Name]
1-(2-{[(2S,3S)-6-Methoxy-1,1-dimethyl-2,3-diphenyl-2,3-dihydro-1H-inden-4-yl]oxy}ethyl)pyrrolidine [ACD/IUPAC Name]
1-(2-{[(2S,3S)-6-Méthoxy-1,1-diméthyl-2,3-diphényl-2,3-dihydro-1H-indén-4-yl]oxy}éthyl)pyrrolidine [French] [ACD/IUPAC Name]
Pyrrolidine, 1-[2-[[(2S,3S)-2,3-dihydro-6-methoxy-1,1-dimethyl-2,3-diphenyl-1H-inden-4-yl]oxy]ethyl]- [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: 538.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 148.6±18.7 °C
Index of Refraction: 1.578
Molar Refractivity: 134.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.67
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 100.97
ACD/KOC (pH 5.5): 127.88
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 808.18
ACD/KOC (pH 7.4): 1023.50
Polar Surface Area: 22 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 405.6±3.0 cm3

Click to predict properties on the Chemicalize site


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