ChemSpider 2D Image | 5',6'-Dimethoxy-2',3',8',8a'-tetrahydro-1'H,4H-spiro[cyclohexane-1,7'-cyclopenta[ij]isoquinolin]-4-one | C18H23NO3

5',6'-Dimethoxy-2',3',8',8a'-tetrahydro-1'H,4H-spiro[cyclohexane-1,7'-cyclopenta[ij]isoquinolin]-4-one

  • Molecular FormulaC18H23NO3
  • Average mass301.380 Da
  • Monoisotopic mass301.167786 Da
  • ChemSpider ID28283247

More details:



Featured data source



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

5',6'-Dimethoxy-2',3',8',8a'-tetrahydro-1'H,4H-spiro[cyclohexane-1,7'-cyclopenta[ij]isoquinolin]-4-one [ACD/IUPAC Name]
Spiro[cyclohexane-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy- [ACD/Index Name]
Stepharine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 475.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.5±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 83.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.22
Polar Surface Area: 48 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 246.5±5.0 cm3

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