ChemSpider 2D Image | (2E,12E)-13-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,12-tridecadien-1-one | C25H35NO3

(2E,12E)-13-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,12-tridecadien-1-one

  • Molecular FormulaC25H35NO3
  • Average mass397.550 Da
  • Monoisotopic mass397.261688 Da
  • ChemSpider ID29417492

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,12E)-13-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,12-tridecadien-1-on [German] [ACD/IUPAC Name]
(2E,12E)-13-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,12-tridecadien-1-one [ACD/IUPAC Name]
(2E,12E)-13-(1,3-Benzodioxol-5-yl)-1-(1-pipéridinyl)-2,12-tridécadién-1-one [French] [ACD/IUPAC Name]
2,12-Tridecadien-1-one, 13-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,12E)- [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: 570.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.6±27.3 °C
Index of Refraction: 1.562
Molar Refractivity: 119.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11687.33
ACD/KOC (pH 5.5): 28396.12
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11687.33
ACD/KOC (pH 7.4): 28396.12
Polar Surface Area: 39 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 367.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement