ChemSpider 2D Image | (2E,5E)-N-Hydroxy-6-methyl-8-[(1S,4aR,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-5-octen-2-imine | C23H39NO

(2E,5E)-N-Hydroxy-6-methyl-8-[(1S,4aR,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-5-octen-2-imine

  • Molecular FormulaC23H39NO
  • Average mass345.562 Da
  • Monoisotopic mass345.303162 Da
  • ChemSpider ID62496832

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E,5E)-N-Hydroxy-6-méthyl-8-[(1S,4aR,8aS)-2,5,5,8a-tétraméthyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphtalényl]-5-octén-2-imine [French] [ACD/IUPAC Name]
(2E,5E)-N-Hydroxy-6-methyl-8-[(1S,4aR,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-5-octen-2-imine [ACD/IUPAC Name]
(2E,5E)-N-Hydroxy-6-methyl-8-[(1S,4aR,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]-5-octen-2-imin [German] [ACD/IUPAC Name]
5-Octen-2-one, 6-methyl-8-[(1S,4aR,8aS)-1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl]-, oxime, (2E,5E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 447.7±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±6.0 kJ/mol
Flash Point: 293.3±12.1 °C
Index of Refraction: 1.520
Molar Refractivity: 107.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.77
ACD/LogD (pH 5.5): 8.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 711597.44
ACD/LogD (pH 7.4): 8.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 711588.81
Polar Surface Area: 33 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 32.4±7.0 dyne/cm
Molar Volume: 353.2±7.0 cm3

Click to predict properties on the Chemicalize site


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