ChemSpider 2D Image | (1R,1'S)-1,1'-(2R,2'S,5S,5'R)-Octahydro-2,2'-bifuran-5,5'-diylbis[6-(4-butylphenoxy)-1-hexanol] | C40H62O6

(1R,1'S)-1,1'-(2R,2'S,5S,5'R)-Octahydro-2,2'-bifuran-5,5'-diylbis[6-(4-butylphenoxy)-1-hexanol]

  • Molecular FormulaC40H62O6
  • Average mass638.917 Da
  • Monoisotopic mass638.454651 Da
  • ChemSpider ID17263008

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,1'S)-1,1'-(2R,2'S,5S,5'R)-Octahydro-2,2'-bifuran-5,5'-diylbis[6-(4-butylphenoxy)-1-hexanol] [ACD/IUPAC Name]
(1R,1'S)-1,1'-(2R,2'S,5S,5'R)-Octahydro-2,2'-bifuran-5,5'-diylbis[6-(4-butylphenoxy)-1-hexanol] [German] [ACD/IUPAC Name]
(1R,1'S)-1,1'-(2R,2'S,5S,5'R)-Octahydro-2,2'-bifurane-5,5'-diylbis[6-(4-butylphénoxy)-1-hexanol] [French] [ACD/IUPAC Name]
[2,2'-Bifuran]-5,5'-dimethanol, α,α'-bis[5-(4-butylphenoxy)pentyl]octahydro-, (α5R,α5'S,2R,2'S,5S,5'R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 750.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.8±32.9 °C
Index of Refraction: 1.535
Molar Refractivity: 186.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 9.81
ACD/LogD (pH 5.5): 8.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1211925.88
ACD/LogD (pH 7.4): 8.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1211925.88
Polar Surface Area: 77 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 599.9±3.0 cm3

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