Found 16 results

Search term: MF = 'C_{39}H_{54}N_{2}O_{3}'
ChemSpider 2D Image | (2E,5E)-2,5-Bis{4-[4-(1-azepanyl)butoxy]benzylidene}cyclopentanone | C39H54N2O3

(2E,5E)-2,5-Bis{4-[4-(1-azepanyl)butoxy]benzylidene}cyclopentanone

  • Molecular FormulaC39H54N2O3
  • Average mass598.858 Da
  • Monoisotopic mass598.413452 Da
  • ChemSpider ID129194468

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,5E)-2,5-Bis{4-[4-(1-azepanyl)butoxy]benzyliden}cyclopentanon [German] [ACD/IUPAC Name]
(2E,5E)-2,5-Bis{4-[4-(1-azepanyl)butoxy]benzylidene}cyclopentanone [ACD/IUPAC Name]
(2E,5E)-2,5-Bis{4-[4-(1-azépanyl)butoxy]benzylidène}cyclopentanone [French] [ACD/IUPAC Name]
Cyclopentanone, 2,5-bis[[4-[4-(hexahydro-1H-azepin-1-yl)butoxy]phenyl]methylene]-, (2E,5E)- [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: 747.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.7±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 184.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 10.22
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 39.54
ACD/KOC (pH 5.5): 33.09
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 52.14
ACD/KOC (pH 7.4): 43.63
Polar Surface Area: 42 Å2
Polarizability: 73.0±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 550.4±3.0 cm3

Click to predict properties on the Chemicalize site


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