ChemSpider 2D Image | (5Z)-1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,10-dimethyl-5,9-undecadien-2-one | C25H35NO4

(5Z)-1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,10-dimethyl-5,9-undecadien-2-one

  • Molecular FormulaC25H35NO4
  • Average mass413.550 Da
  • Monoisotopic mass413.256622 Da
  • ChemSpider ID109835546
  • Double-bond stereo - Double-bond stereo


More details:






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

(5Z)-1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isochinolin-5-yl)-6,10-dimethyl-5,9-undecadien-2-on [German] [ACD/IUPAC Name]
(5Z)-1-(4-Méthoxy-6-méthyl-5,6,7,8-tétrahydro[1,3]dioxolo[4,5-g]isoquinoléin-5-yl)-6,10-diméthyl-5,9-undécadién-2-one [French] [ACD/IUPAC Name]
(5Z)-1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,10-dimethyl-5,9-undecadien-2-one [ACD/IUPAC Name]
5,9-Undecadien-2-one, 6,10-dimethyl-1-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, (5Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 541.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.5±30.1 °C
Index of Refraction: 1.533
Molar Refractivity: 119.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 348.77
ACD/KOC (pH 5.5): 873.27
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 7643.59
ACD/KOC (pH 7.4): 19138.25
Polar Surface Area: 48 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 385.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement