ChemSpider 2D Image | 5-Benzyl 1-(2-methyl-2-propanyl) 2,3-O-1,1-cyclopentanediyl-4-C-dodecyl-3-C-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-xylarate | C38H60O9

5-Benzyl 1-(2-methyl-2-propanyl) 2,3-O-1,1-cyclopentanediyl-4-C-dodecyl-3-C-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-xylarate

  • Molecular FormulaC38H60O9
  • Average mass660.878 Da
  • Monoisotopic mass660.423706 Da
  • ChemSpider ID9247539

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2,3-O-1,1-Cyclopentanediyl-4-C-dodécyl-3-C-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-xylarate de 5-benzyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
5-Benzyl 1-(2-methyl-2-propanyl) 2,3-O-1,1-cyclopentanediyl-4-C-dodecyl-3-C-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-xylarate [ACD/IUPAC Name]
5-Benzyl-1-(2-methyl-2-propanyl)-2,3-O-1,1-cyclopentandiyl-4-C-dodecyl-3-C-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-xylarat [German] [ACD/IUPAC Name]
D-Xylaric acid, 2,3-O-cyclopentylidene-3-C-[(1,1-dimethylethoxy)carbonyl]-4-C-dodecyl-, 1-(1,1-dimethylethyl) 5-(phenylmethyl) ester [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: 686.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 197.4±23.6 °C
Index of Refraction: 1.525
Molar Refractivity: 181.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 14.16
ACD/LogD (pH 5.5): 11.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 118 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 592.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement