ChemSpider 2D Image | (9Z,12Z)-2,2-Bis[(benzyloxy)methyl]-4-azatricyclo[11.2.2.0~4,14~]heptadeca-9,12-diene | C32H41NO2

(9Z,12Z)-2,2-Bis[(benzyloxy)methyl]-4-azatricyclo[11.2.2.04,14]heptadeca-9,12-diene

  • Molecular FormulaC32H41NO2
  • Average mass471.673 Da
  • Monoisotopic mass471.313721 Da
  • ChemSpider ID77413539

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,12Z)-2,2-Bis[(benzyloxy)methyl]-4-azatricyclo[11.2.2.04,14]heptadeca-9,12-dien [German] [ACD/IUPAC Name]
(9Z,12Z)-2,2-Bis[(benzyloxy)methyl]-4-azatricyclo[11.2.2.04,14]heptadeca-9,12-diene [ACD/IUPAC Name]
(9Z,12Z)-2,2-Bis[(benzyloxy)méthyl]-4-azatricyclo[11.2.2.04,14]heptadéca-9,12-diène [French] [ACD/IUPAC Name]
1,12-Ethano-1H-1-benzazacycloundecine, 2,3,4,5,8,10,11,12,13,13a-decahydro-14,14-bis[(phenylmethoxy)methyl]-, (6Z,9Z)- [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: 583.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 158.9±18.7 °C
Index of Refraction: 1.597
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.25
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 243.38
ACD/KOC (pH 5.5): 299.40
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 10451.36
ACD/KOC (pH 7.4): 12857.01
Polar Surface Area: 22 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 425.3±5.0 cm3

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