ChemSpider 2D Image | Methyl 8-{(3S,5R)-5-[(2Z)-2-octen-1-yl]-1,2,4-trioxolan-3-yl}octanoate | C19H34O5

Methyl 8-{(3S,5R)-5-[(2Z)-2-octen-1-yl]-1,2,4-trioxolan-3-yl}octanoate

  • Molecular FormulaC19H34O5
  • Average mass342.470 Da
  • Monoisotopic mass342.240631 Da
  • ChemSpider ID34990963

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,2,4-Trioxolane-3-octanoic acid, 5-[(2Z)-2-octen-1-yl]-, methyl ester, (3S,5R)- [ACD/Index Name]
8-{(3S,5R)-5-[(2Z)-2-Octén-1-yl]-1,2,4-trioxolan-3-yl}octanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 8-{(3S,5R)-5-[(2Z)-2-octen-1-yl]-1,2,4-trioxolan-3-yl}octanoate [ACD/IUPAC Name]
Methyl-8-{(3S,5R)-5-[(2Z)-2-octen-1-yl]-1,2,4-trioxolan-3-yl}octanoat [German] [ACD/IUPAC Name]
121431-57-0 [RN]
UNII-H5SRK63OL7

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

Density: 1.0±0.1 g/cm3
Boiling Point: 402.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 170.7±26.8 °C
Index of Refraction: 1.456
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5966.95
ACD/KOC (pH 5.5): 17549.92
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5966.95
ACD/KOC (pH 7.4): 17549.92
Polar Surface Area: 54 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 348.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement