ChemSpider 2D Image | (2E,4E)-2,4-Bis(4-butoxybenzylidene)-8-methyl-8-azabicyclo[3.2.1]octan-3-one | C30H37NO3

(2E,4E)-2,4-Bis(4-butoxybenzylidene)-8-methyl-8-azabicyclo[3.2.1]octan-3-one

  • Molecular FormulaC30H37NO3
  • Average mass459.620 Da
  • Monoisotopic mass459.277344 Da
  • ChemSpider ID22947527

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E)-2,4-Bis(4-butoxybenzyliden)-8-methyl-8-azabicyclo[3.2.1]octan-3-on [German] [ACD/IUPAC Name]
(2E,4E)-2,4-Bis(4-butoxybenzylidene)-8-methyl-8-azabicyclo[3.2.1]octan-3-one [ACD/IUPAC Name]
(2E,4E)-2,4-Bis(4-butoxybenzylidène)-8-méthyl-8-azabicyclo[3.2.1]octan-3-one [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octan-3-one, 2,4-bis[(4-butoxyphenyl)methylene]-8-methyl-, (2E,4E)- [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: 630.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.3±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 141.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.90
ACD/LogD (pH 5.5): 6.14
ACD/BCF (pH 5.5): 22088.89
ACD/KOC (pH 5.5): 35010.17
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 51642.07
ACD/KOC (pH 7.4): 81850.99
Polar Surface Area: 39 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 413.1±3.0 cm3

Click to predict properties on the Chemicalize site


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