ChemSpider 2D Image | (5S,5'S)-4,4'-(1,6-Hexanediyldiimino)bis[3-bromo-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-2(5H)-furanone] | C34H54Br2N2O6

(5S,5'S)-4,4'-(1,6-Hexanediyldiimino)bis[3-bromo-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-2(5H)-furanone]

  • Molecular FormulaC34H54Br2N2O6
  • Average mass746.610 Da
  • Monoisotopic mass744.234863 Da
  • ChemSpider ID24740356

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5S,5'S)-4,4'-(1,6-Hexandiyldiimino)bis[3-brom-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-2(5H)-furanon] [German] [ACD/IUPAC Name]
(5S,5'S)-4,4'-(1,6-Hexanediyldiimino)bis[3-bromo-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-2(5H)-furanone] [ACD/IUPAC Name]
(5S,5'S)-4,4'-(1,6-Hexanediyldiimino)bis[3-bromo-5-{[(1R,2S,5R)-2-isopropyl-5-méthylcyclohexyl]oxy}-2(5H)-furanone] [French] [ACD/IUPAC Name]
2(5H)-Furanone, 4,4'-(1,6-hexanediyldiimino)bis[3-bromo-5-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-, (5S,5'S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 763.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.8±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 180.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 185946.17
ACD/KOC (pH 5.5): 205772.75
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 185969.25
ACD/KOC (pH 7.4): 205798.28
Polar Surface Area: 95 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 559.1±5.0 cm3

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