ChemSpider 2D Image | Benzyl (2R)-2-[(1E)-2-ethyl-1-octen-1-yl]-4,4-diphenyl-1-pyrrolidinecarboxylate | C34H41NO2

Benzyl (2R)-2-[(1E)-2-ethyl-1-octen-1-yl]-4,4-diphenyl-1-pyrrolidinecarboxylate

  • Molecular FormulaC34H41NO2
  • Average mass495.695 Da
  • Monoisotopic mass495.313721 Da
  • ChemSpider ID75573249

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(1E)-2-Éthyl-1-octén-1-yl]-4,4-diphényl-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[(1E)-2-ethyl-1-octen-1-yl]-4,4-diphenyl-, phenylmethyl ester, (2R)- [ACD/Index Name]
Benzyl (2R)-2-[(1E)-2-ethyl-1-octen-1-yl]-4,4-diphenyl-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-(2R)-2-[(1E)-2-ethyl-1-octen-1-yl]-4,4-diphenyl-1-pyrrolidincarboxylat [German] [ACD/IUPAC 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: 603.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.6±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 154.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 10.19
ACD/LogD (pH 5.5): 9.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6144863.50
ACD/LogD (pH 7.4): 9.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6144863.50
Polar Surface Area: 30 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 456.1±3.0 cm3

Click to predict properties on the Chemicalize site


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