ChemSpider 2D Image | 2-[(1E)-N-Ethoxy(3,3,4,4,4-~2~H_5_)butanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one | C17H22D5NO3S

2-[(1E)-N-Ethoxy(3,3,4,4,4-2H5)butanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one

  • Molecular FormulaC17H22D5NO3S
  • Average mass330.497 Da
  • Monoisotopic mass330.202545 Da
  • ChemSpider ID58781582

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

2-[(1E)-N-Ethoxy(3,3,4,4,4-2H5)butanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
2-[(1E)-N-Ethoxy(3,3,4,4,4-2H5)butanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one [ACD/IUPAC Name]
2-[(1E)-N-Éthoxy(3,3,4,4,4-2H5)butanimidoyl]-3-hydroxy-5-(tétrahydro-2H-thiopyrane-3-yl)-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 2-[(1E)-1-(ethoxyimino)butyl-3,3,4,4,4-d5]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)- [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: 455.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±6.0 kJ/mol
Flash Point: 229.4±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 89.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 9.32
ACD/KOC (pH 5.5): 55.04
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 84 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 267.8±7.0 cm3

Click to predict properties on the Chemicalize site


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