ChemSpider 2D Image | (2E,4Z,7R)-11-[(2R,3R)-3-(Hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethyl-2,4-undecadienoic acid | C18H28O5

(2E,4Z,7R)-11-[(2R,3R)-3-(Hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethyl-2,4-undecadienoic acid

  • Molecular FormulaC18H28O5
  • Average mass324.412 Da
  • Monoisotopic mass324.193665 Da
  • ChemSpider ID111311224

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E,4Z,7R)-11-[(2R,3R)-3-(Hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethyl-2,4-undecadienoic acid [ACD/IUPAC Name]
(2E,4Z,7R)-11-[(2R,3R)-3-(Hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethyl-2,4-undecadiensäure [German] [ACD/IUPAC Name]
2,4-Undecadienoic acid, 11-[(2R,3R)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethyl-, (2E,4Z,7R)- [ACD/Index Name]
Acide (2E,4Z,7R)-11-[(2R,3R)-3-(hydroxyméthyl)-4-oxo-2-oxétanyl]-3,5,7-triméthyl-2,4-undécadiénoïque [French] [ACD/IUPAC 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: 516.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.8±6.0 kJ/mol
Flash Point: 181.3±13.9 °C
Index of Refraction: 1.510
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 35.65
ACD/KOC (pH 5.5): 296.29
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.06
Polar Surface Area: 84 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 294.6±3.0 cm3

Click to predict properties on the Chemicalize site


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