ChemSpider 2D Image | (1R,7aR,1'R,7a'R)-4,4'-(1,9-Nonanediyl)bis(1-{[(3-methyl-2-butenoyl)oxy]methyl}hexahydro-1H-pyrrolizinium) | C35H60N2O4

(1R,7aR,1'R,7a'R)-4,4'-(1,9-Nonanediyl)bis(1-{[(3-methyl-2-butenoyl)oxy]methyl}hexahydro-1H-pyrrolizinium)

  • Molecular FormulaC35H60N2O4
  • Average mass572.861 Da
  • Monoisotopic mass572.454224 Da
  • ChemSpider ID2309607

  • Charge - Charge

    defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,7aR,1'R,7a'R)-4,4'-(1,9-Nonandiyl)bis(1-{[(3-methyl-2-butenoyl)oxy]methyl}hexahydro-1H-pyrrolizinium) [German] [ACD/IUPAC Name]
(1R,7aR,1'R,7a'R)-4,4'-(1,9-Nonanediyl)bis(1-{[(3-methyl-2-butenoyl)oxy]methyl}hexahydro-1H-pyrrolizinium) [ACD/IUPAC Name]
(1R,7aR,1'R,7a'R)-4,4'-(1,9-Nonanediyl)bis(1-{[(3-méthyl-2-butenoyl)oxy]méthyl}hexahydro-1H-pyrrolizinium) [French] [ACD/IUPAC Name]
1H-Pyrrolizinium, 4,4'-(1,9-nonanediyl)bis[hexahydro-1-[[(3-methyl-1-oxo-2-buten-1-yl)oxy]methyl]-, (1R,7aR,1'R,7'aR)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.29
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.29
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

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