ChemSpider 2D Image | 1-(1,4'-Bipiperidin-1'-yl)-5-[(3S)-1,2-dithiolan-3-yl]-1-pentanone | C18H32N2OS2

1-(1,4'-Bipiperidin-1'-yl)-5-[(3S)-1,2-dithiolan-3-yl]-1-pentanone

  • Molecular FormulaC18H32N2OS2
  • Average mass356.590 Da
  • Monoisotopic mass356.195618 Da
  • ChemSpider ID126783235

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(1,4'-Bipiperidin-1'-yl)-5-[(3S)-1,2-dithiolan-3-yl]-1-pentanon [German] [ACD/IUPAC Name]
1-(1,4'-Bipiperidin-1'-yl)-5-[(3S)-1,2-dithiolan-3-yl]-1-pentanone [ACD/IUPAC Name]
1-(1,4'-Bipipéridin-1'-yl)-5-[(3S)-1,2-dithiolan-3-yl]-1-pentanone [French] [ACD/IUPAC Name]
1-Pentanone, 1-[1,4'-bipiperidin]-1'-yl-5-[(3S)-1,2-dithiolan-3-yl]- [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: 510.7±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.6±28.2 °C
Index of Refraction: 1.569
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.41
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 13.45
ACD/KOC (pH 7.4): 79.37
Polar Surface Area: 74 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 313.1±3.0 cm3

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