ChemSpider 2D Image | 6-Methyl-6''-{[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy}-2,2':6',2''-terpyridine | C26H29N3O

6-Methyl-6''-{[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy}-2,2':6',2''-terpyridine

  • Molecular FormulaC26H29N3O
  • Average mass399.528 Da
  • Monoisotopic mass399.231049 Da
  • ChemSpider ID30652718

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2,2':6',2''-Terpyridine, 6-methyl-6''-[[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy]- [ACD/Index Name]
6-Methyl-6''-{[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy}-2,2':6',2''-terpyridin [German] [ACD/IUPAC Name]
6-Methyl-6''-{[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy}-2,2':6',2''-terpyridine [ACD/IUPAC Name]
6-Méthyl-6''-{[(1S,2R,4S)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yl]oxy}-2,2':6',2''-terpyridine [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: 504.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 178.9±19.0 °C
Index of Refraction: 1.585
Molar Refractivity: 118.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15273.26
ACD/KOC (pH 5.5): 33480.67
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16764.42
ACD/KOC (pH 7.4): 36749.45
Polar Surface Area: 48 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 354.4±3.0 cm3

Click to predict properties on the Chemicalize site


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