ChemSpider 2D Image | Methyl [(1E,5R)-5-{(3S)-3-[(2E,4E)-2,5-dimethyl-2,4-octadienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidene]carbamate | C23H31NO6

Methyl [(1E,5R)-5-{(3S)-3-[(2E,4E)-2,5-dimethyl-2,4-octadienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidene]carbamate

  • Molecular FormulaC23H31NO6
  • Average mass417.495 Da
  • Monoisotopic mass417.215149 Da
  • ChemSpider ID25058968
  • 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

[(1E,5R)-5-{(3S)-3-[(2E,4E)-2,5-Diméthyl-2,4-octadienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidène]carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1E,5R)-5-[(3S)-3-[(2E,4E)-2,5-dimethyl-1-oxo-2,4-octadien-1-yl]-3,4-dihydro-2,4-dioxo-2H-pyran-6-yl]hexylidene]-, methyl ester [ACD/Index Name]
Methyl [(1E,5R)-5-{(3S)-3-[(2E,4E)-2,5-dimethyl-2,4-octadienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidene]carbamate [ACD/IUPAC Name]
methyl [(1E,5R)-5-{(3S)-3-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidene]carbamate
Methyl-[(1E,5R)-5-{(3S)-3-[(2E,4E)-2,5-dimethyl-2,4-octadienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexyliden]carbamat [German] [ACD/IUPAC Name]
methyl N-[(1E,5R)-5-[(3S)-3-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl]hexylidene]carbamate
methyl N-[(1E,5R)-5-[(5S)-5-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-4,6-dioxo-5H-pyran-2-yl]hexylidene]carbamate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 586.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 214.0±27.3 °C
Index of Refraction: 1.519
Molar Refractivity: 114.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 112.29
ACD/KOC (pH 5.5): 600.65
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 3.93
ACD/KOC (pH 7.4): 21.02
Polar Surface Area: 99 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 37.3±7.0 dyne/cm
Molar Volume: 376.6±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement