ChemSpider 2D Image | Methyl (2E,4E)-11-[(2S,3S)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethyl-2,4-undecadienoate | C19H30O5

Methyl (2E,4E)-11-[(2S,3S)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethyl-2,4-undecadienoate

  • Molecular FormulaC19H30O5
  • Average mass338.439 Da
  • Monoisotopic mass338.209320 Da
  • ChemSpider ID88297750

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2E,4E)-11-[(2S,3S)-3-(Hydroxyméthyl)-4-oxo-2-oxétanyl]-3,5,7-triméthyl-2,4-undécadiénoate de méthyle [French] [ACD/IUPAC Name]
2,4-Undecadienoic acid, 11-[(2S,3S)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethyl-, methyl ester, (2E,4E)- [ACD/Index Name]
Methyl (2E,4E)-11-[(2S,3S)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethyl-2,4-undecadienoate [ACD/IUPAC Name]
Methyl-(2E,4E)-11-[(2S,3S)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethyl-2,4-undecadienoat [German] [ACD/IUPAC Name]
112965-15-8 [RN]
L 668411

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

Density: 1.1±0.1 g/cm3
Boiling Point: 473.1±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.9±6.0 kJ/mol
Flash Point: 159.9±12.5 °C
Index of Refraction: 1.492
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 279.79
ACD/KOC (pH 5.5): 1963.60
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 279.79
ACD/KOC (pH 7.4): 1963.60
Polar Surface Area: 73 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 319.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement