ChemSpider 2D Image | Bis{2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]-2-propen-1-yl} 3,3'-[1,2-ethanediylbis(methylimino)]dipropanoate (non-preferred name) | C40H64N2O4

Bis{2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]-2-propen-1-yl} 3,3'-[1,2-ethanediylbis(methylimino)]dipropanoate (non-preferred name)

  • Molecular FormulaC40H64N2O4
  • Average mass636.947 Da
  • Monoisotopic mass636.486633 Da
  • ChemSpider ID76803199

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

3,3'-[1,2-Éthanediylbis(méthylimino)]dipropanoate de bis{2-[(1R,3S,4S)-3-isopropényl-4-méthyl-4-vinylcyclohexyl]-2-propén-1-yle} (non-preferred name) [French] [ACD/IUPAC Name]
Bis{2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]-2-propen-1-yl} 3,3'-[1,2-ethanediylbis(methylimino)]dipropanoate (non-preferred name) [ACD/IUPAC Name]
Bis{2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]-2-propen-1-yl}-3,3'-[1,2-ethandiylbis(methylimino)]dipropanoat (non-preferred name) [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 646.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.5±31.5 °C
Index of Refraction: 1.529
Molar Refractivity: 194.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 12.05
ACD/LogD (pH 5.5): 7.93
ACD/BCF (pH 5.5): 177890.23
ACD/KOC (pH 5.5): 45270.38
ACD/LogD (pH 7.4): 9.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2441188.75
Polar Surface Area: 59 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 631.6±3.0 cm3

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