ChemSpider 2D Image | (6E,16Z)-5,9-Diethyl-4,10-dimethyl-26-oxa-27,28-diazahexacyclo[16.6.1.1~3,6~.1~8,11~.1~13,16~.0~19,24~]octacosa-1,3(28),4,6,8,10,12,14,16,18(25),19,21,23-tridecaene | C31H28N2O

(6E,16Z)-5,9-Diethyl-4,10-dimethyl-26-oxa-27,28-diazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3(28),4,6,8,10,12,14,16,18(25),19,21,23-tridecaene

  • Molecular FormulaC31H28N2O
  • Average mass444.567 Da
  • Monoisotopic mass444.220154 Da
  • ChemSpider ID30659277

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E,16Z)-5,9-Diethyl-4,10-dimethyl-26-oxa-27,28-diazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3(28),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen [German] [ACD/IUPAC Name]
(6E,16Z)-5,9-Diethyl-4,10-dimethyl-26-oxa-27,28-diazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3(28),4,6,8,10,12,14,16,18(25),19,21,23-tridecaene [ACD/IUPAC Name]
(6E,16Z)-5,9-Diéthyl-4,10-diméthyl-26-oxa-27,28-diazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3(28),4,6,8,10,12,14,16,18(25),19,21,23-tridécaène [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 744.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 406.0±25.5 °C
Index of Refraction: 1.665
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 10.46
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 42 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 376.9±3.0 cm3

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