ChemSpider 2D Image | (1R)-1-(1,3-Benzodioxol-5-yl)-2-[(2E)-3-phenyl-2-propen-1-yl]octahydro-4a(2H)-isoquinolinol | C25H29NO3

(1R)-1-(1,3-Benzodioxol-5-yl)-2-[(2E)-3-phenyl-2-propen-1-yl]octahydro-4a(2H)-isoquinolinol

  • Molecular FormulaC25H29NO3
  • Average mass391.503 Da
  • Monoisotopic mass391.214752 Da
  • ChemSpider ID60554569

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(1R)-1-(1,3-Benzodioxol-5-yl)-2-[(2E)-3-phenyl-2-propen-1-yl]octahydro-4a(2H)-isochinolinol [German] [ACD/IUPAC Name]
(1R)-1-(1,3-Benzodioxol-5-yl)-2-[(2E)-3-phényl-2-propén-1-yl]octahydro-4a(2H)-isoquinoléinol [French] [ACD/IUPAC Name]
(1R)-1-(1,3-Benzodioxol-5-yl)-2-[(2E)-3-phenyl-2-propen-1-yl]octahydro-4a(2H)-isoquinolinol [ACD/IUPAC Name]
4a(2H)-Isoquinolinol, 1-(1,3-benzodioxol-5-yl)octahydro-2-[(2E)-3-phenyl-2-propen-1-yl]-, (1R)- [ACD/Index 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: 565.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.7±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 115.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 34.83
ACD/KOC (pH 5.5): 178.81
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 648.36
ACD/KOC (pH 7.4): 3328.39
Polar Surface Area: 42 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 323.0±3.0 cm3

Click to predict properties on the Chemicalize site


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