ChemSpider 2D Image | (5S)-5-Hexyl-1-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one | C19H27NO3

(5S)-5-Hexyl-1-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC19H27NO3
  • Average mass317.423 Da
  • Monoisotopic mass317.199097 Da
  • ChemSpider ID24742191

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-5-Hexyl-1-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
(5S)-5-Hexyl-1-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
(5S)-5-Hexyl-1-[(1S)-2-hydroxy-1-phényléthyl]-4-méthoxy-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 5-hexyl-1,5-dihydro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-, (5S)- [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: 518.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 267.4±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 91.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 293.47
ACD/KOC (pH 5.5): 2031.83
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 293.47
ACD/KOC (pH 7.4): 2031.83
Polar Surface Area: 50 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 285.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement