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

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

  • Molecular FormulaC20H22D3N3O
  • Average mass326.451 Da
  • Monoisotopic mass326.218597 Da
  • ChemSpider ID107435346

  • 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

2H-Pyrrole, 2-[(4-methoxy[2,2'-bi-1H-pyrrol]-5-yl-3',4',5'-d3)methylene]-5-methyl-4-pentyl-, (2E)- [ACD/Index Name]
4-Methoxy-5-[(E)-(5-methyl-4-pentyl-2H-pyrrol-2-yliden)methyl](3',4',5'-2H3)-1H,1'H-2,2'-bipyrrol [German] [ACD/IUPAC Name]
4-Methoxy-5-[(E)-(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl](3',4',5'-2H3)-1H,1'H-2,2'-bipyrrole [ACD/IUPAC Name]
4-Méthoxy-5-[(E)-(5-méthyl-4-pentyl-2H-pyrrol-2-ylidène)méthyl](3',4',5'-2H3)-1H,1'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: 554.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 289.0±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 97.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 23.99
ACD/KOC (pH 5.5): 96.54
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 305.33
ACD/KOC (pH 7.4): 1228.95
Polar Surface Area: 53 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 287.0±7.0 cm3

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