ChemSpider 2D Image | 2-{(Z)-[(5E)-3-Methoxy-5-(2H-pyrrol-2-ylidene)-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-5-undecyl-1H-pyrrole | C25H35N3O

2-{(Z)-[(5E)-3-Methoxy-5-(2H-pyrrol-2-ylidene)-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-5-undecyl-1H-pyrrole

  • Molecular FormulaC25H35N3O
  • Average mass393.565 Da
  • Monoisotopic mass393.278015 Da
  • ChemSpider ID129310246

More details:

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

1H-Pyrrole, 2,5-dihydro-3-methoxy-5-(2H-pyrrol-2-ylidene)-2-[(5-undecyl-1H-pyrrol-2-yl)methylene]-, (2Z,5E)- [ACD/Index Name]
2-{(Z)-[(5E)-3-Methoxy-5-(2H-pyrrol-2-yliden)-1,5-dihydro-2H-pyrrol-2-yliden]methyl}-5-undecyl-1H-pyrrol [German] [ACD/IUPAC Name]
2-{(Z)-[(5E)-3-Methoxy-5-(2H-pyrrol-2-ylidene)-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-5-undecyl-1H-pyrrole [ACD/IUPAC Name]
2-{(Z)-[(5E)-3-Méthoxy-5-(2H-pyrrol-2-ylidène)-1,5-dihydro-2H-pyrrol-2-ylidène]méthyl}-5-undécyl-1H-pyrrole [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: 589.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.5±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 120.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 306.82
ACD/KOC (pH 5.5): 567.07
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 373.21
ACD/KOC (pH 7.4): 689.78
Polar Surface Area: 49 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 38.8±7.0 dyne/cm
Molar Volume: 368.2±7.0 cm3

Click to predict properties on the Chemicalize site


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