ChemSpider 2D Image | (2S)-2-{[(9Z)-9-Octadecen-1-yloxy]methyl}pyrrolidine | C23H45NO

(2S)-2-{[(9Z)-9-Octadecen-1-yloxy]methyl}pyrrolidine

  • Molecular FormulaC23H45NO
  • Average mass351.609 Da
  • Monoisotopic mass351.350128 Da
  • ChemSpider ID88301677

  • 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

(2S)-2-{[(9Z)-9-Octadecen-1-yloxy]methyl}pyrrolidin [German] [ACD/IUPAC Name]
(2S)-2-{[(9Z)-9-Octadecen-1-yloxy]methyl}pyrrolidine [ACD/IUPAC Name]
(2S)-2-{[(9Z)-9-Octadécén-1-yloxy]méthyl}pyrrolidine [French] [ACD/IUPAC Name]
Pyrrolidine, 2-[[(9Z)-9-octadecen-1-yloxy]methyl]-, (2S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 449.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 208.1±13.5 °C
Index of Refraction: 1.466
Molar Refractivity: 111.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 8.48
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 868.18
ACD/KOC (pH 5.5): 583.23
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 1872.78
ACD/KOC (pH 7.4): 1258.11
Polar Surface Area: 21 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 402.9±3.0 cm3

Click to predict properties on the Chemicalize site


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