ChemSpider 2D Image | 4'-Methoxy-5'-[(Z)-(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl](3,4,5-~2~H_3_)-1H,4'H-2,2'-bipyrrole | C20H22D3N3O

4'-Methoxy-5'-[(Z)-(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl](3,4,5-2H3)-1H,4'H-2,2'-bipyrrole

  • Molecular FormulaC20H22D3N3O
  • Average mass326.451 Da
  • Monoisotopic mass326.218597 Da
  • ChemSpider ID111127222

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrrole-2,3,4-d3, 5-[3-methoxy-2-[(Z)-(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-3H-pyrrol-5-yl]- [ACD/Index Name]
4'-Methoxy-5'-[(Z)-(5-methyl-4-pentyl-2H-pyrrol-2-yliden)methyl](3,4,5-2H3)-1H,4'H-2,2'-bipyrrol [German] [ACD/IUPAC Name]
4'-Methoxy-5'-[(Z)-(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl](3,4,5-2H3)-1H,4'H-2,2'-bipyrrole [ACD/IUPAC Name]
4'-Méthoxy-5'-[(Z)-(5-méthyl-4-pentyl-2H-pyrrol-2-ylidène)méthyl](3,4,5-2H3)-1H,4'H-2,2'-bipyrrole [French] [ACD/IUPAC 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: 471.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 238.9±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 97.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 158.76
ACD/KOC (pH 5.5): 1136.20
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 259.04
ACD/KOC (pH 7.4): 1853.93
Polar Surface Area: 50 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 287.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement