ChemSpider 2D Image | 1-{5'-[1-Hydroxy-13-(5-methyl-2-oxo-2,3-dihydro-3-furanyl)tridecyl]octahydro-2,2'-bifuran-5-yl}undecyl acetate | C39H68O7

1-{5'-[1-Hydroxy-13-(5-methyl-2-oxo-2,3-dihydro-3-furanyl)tridecyl]octahydro-2,2'-bifuran-5-yl}undecyl acetate

  • Molecular FormulaC39H68O7
  • Average mass648.953 Da
  • Monoisotopic mass648.496521 Da
  • ChemSpider ID296520

More details:

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

1-{5'-[1-Hydroxy-13-(5-methyl-2-oxo-2,3-dihydro-3-furanyl)tridecyl]octahydro-2,2'-bifuran-5-yl}undecyl acetate [ACD/IUPAC Name]
1-{5'-[1-Hydroxy-13-(5-methyl-2-oxo-2,3-dihydro-3-furanyl)tridecyl]octahydro-2,2'-bifuran-5-yl}undecyl-acetat [German] [ACD/IUPAC Name]
2(3H)-Furanone, 3-[13-[5'-[1-(acetyloxy)undecyl]octahydro(2,2'-bifuran)-5-yl]-13-hydroxytridecyl]-5-methyl-
2(3H)-Furanone, 3-[13-[5'-[1-(acetyloxy)undecyl]octahydro[2,2'-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl- [ACD/Index Name]
Acétate de 1-{5'-[1-hydroxy-13-(5-méthyl-2-oxo-2,3-dihydro-3-furanyl)tridécyl]octahydro-2,2'-bifuran-5-yl}undécyle [French] [ACD/IUPAC Name]
2(3H)-Furanone, 3-[13-[5'-[1-(acetyloxy)undecyl]octahydro[2, 2'-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-

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

NSC340293 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 734.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.4±6.0 kJ/mol
Flash Point: 212.6±20.8 °C
Index of Refraction: 1.495
Molar Refractivity: 184.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 10.97
ACD/LogD (pH 5.5): 10.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8824995.00
ACD/LogD (pH 7.4): 10.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8824995.00
Polar Surface Area: 91 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 632.1±3.0 cm3

Click to predict properties on the Chemicalize site


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