ChemSpider 2D Image | 2,3-Dihydroxypropyl (6E)-2,2-bis[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7,11-dimethyl-3-oxo-6,10-dodecadienoate | C37H60O5

2,3-Dihydroxypropyl (6E)-2,2-bis[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7,11-dimethyl-3-oxo-6,10-dodecadienoate

  • Molecular FormulaC37H60O5
  • Average mass584.869 Da
  • Monoisotopic mass584.444092 Da
  • ChemSpider ID74143355

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-2,2-Bis[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-7,11-diméthyl-3-oxo-6,10-dodécadiénoate de 2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
2,3-Dihydroxypropyl (6E)-2,2-bis[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7,11-dimethyl-3-oxo-6,10-dodecadienoate [ACD/IUPAC Name]
2,3-Dihydroxypropyl-(6E)-2,2-bis[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7,11-dimethyl-3-oxo-6,10-dodecadienoat [German] [ACD/IUPAC Name]
6,10-Dodecadienoic acid, 2,2-bis[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7,11-dimethyl-3-oxo-, 2,3-dihydroxypropyl ester, (6E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 676.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±6.0 kJ/mol
Flash Point: 195.5±25.0 °C
Index of Refraction: 1.508
Molar Refractivity: 177.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 11.82
ACD/LogD (pH 5.5): 10.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9320189.00
ACD/LogD (pH 7.4): 10.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9320169.00
Polar Surface Area: 84 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 595.8±3.0 cm3

Click to predict properties on the Chemicalize site


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