ChemSpider 2D Image | (2R)-2-Ethyl-5-iodo-1-[(E)-{[(2S)-1-methoxy-3-methyl-2-butanyl]imino}(phenyl)methyl]-2,3-dihydro-4(1H)-pyridinone | C20H27IN2O2

(2R)-2-Ethyl-5-iodo-1-[(E)-{[(2S)-1-methoxy-3-methyl-2-butanyl]imino}(phenyl)methyl]-2,3-dihydro-4(1H)-pyridinone

  • Molecular FormulaC20H27IN2O2
  • Average mass454.345 Da
  • Monoisotopic mass454.111725 Da
  • ChemSpider ID30651689

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-Ethyl-5-iod-1-[(E)-{[(2S)-1-methoxy-3-methyl-2-butanyl]imino}(phenyl)methyl]-2,3-dihydro-4(1H)-pyridinon [German] [ACD/IUPAC Name]
(2R)-2-Ethyl-5-iodo-1-[(E)-{[(2S)-1-methoxy-3-methyl-2-butanyl]imino}(phenyl)methyl]-2,3-dihydro-4(1H)-pyridinone [ACD/IUPAC Name]
(2R)-2-Éthyl-5-iodo-1-[(E)-{[(2S)-1-méthoxy-3-méthyl-2-butanyl]imino}(phényl)méthyl]-2,3-dihydro-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-ethyl-2,3-dihydro-5-iodo-1-[(E)-[[(1S)-1-(methoxymethyl)-2-methylpropyl]imino]phenylmethyl]-, (2R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 467.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 236.6±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 110.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 971.10
ACD/KOC (pH 5.5): 4775.33
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 977.98
ACD/KOC (pH 7.4): 4809.13
Polar Surface Area: 42 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 39.3±7.0 dyne/cm
Molar Volume: 330.9±7.0 cm3

Click to predict properties on the Chemicalize site


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