ChemSpider 2D Image | (3alpha,17E)-3-(1-Piperidinyl)pregn-17-en-16-one | C26H41NO

(3α,17E)-3-(1-Piperidinyl)pregn-17-en-16-one

  • Molecular FormulaC26H41NO
  • Average mass383.610 Da
  • Monoisotopic mass383.318817 Da
  • ChemSpider ID76768213
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(3α,17E)-3-(1-Piperidinyl)pregn-17-en-16-on [German] [ACD/IUPAC Name]
(3α,17E)-3-(1-Piperidinyl)pregn-17-en-16-one [ACD/IUPAC Name]
(3α,17E)-3-(1-Pipéridinyl)prégn-17-én-16-one [French] [ACD/IUPAC Name]
Pregn-17-en-16-one, 3-(1-piperidinyl)-, (3α,17E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 490.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 169.4±18.1 °C
Index of Refraction: 1.568
Molar Refractivity: 117.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 15.44
ACD/KOC (pH 5.5): 33.02
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 85.46
ACD/KOC (pH 7.4): 182.77
Polar Surface Area: 20 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 359.0±3.0 cm3

Click to predict properties on the Chemicalize site






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