ChemSpider 2D Image | (5S)-3-Bromo-4-(diallylamino)-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-2(5H)-furanone | C20H30BrNO3

(5S)-3-Bromo-4-(diallylamino)-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-2(5H)-furanone

  • Molecular FormulaC20H30BrNO3
  • Average mass412.361 Da
  • Monoisotopic mass411.140900 Da
  • ChemSpider ID30656403

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S)-3-Brom-4-(diallylamino)-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-Bromo-4-(diallylamino)-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-Bromo-4-(diallylamino)-5-{[(1R,2S,5R)-2-isopropyl-5-méthylcyclohexyl]oxy}-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-bromo-4-(di-2-propen-1-ylamino)-5-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-, (5S)- [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: 475.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 241.6±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 104.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5335.45
ACD/KOC (pH 5.5): 16199.49
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5335.46
ACD/KOC (pH 7.4): 16199.52
Polar Surface Area: 39 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 335.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement