ChemSpider 2D Image | 2-[(Allyloxy)methyl]-2-[(2-oxiranylmethoxy)methyl]butyl (9Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoate | C30H52O6

2-[(Allyloxy)methyl]-2-[(2-oxiranylmethoxy)methyl]butyl (9Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoate

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID9126519
  • Double-bond stereo - Double-bond stereo


More details:






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

(9Z)-11-(3-Pentyl-2-oxiranyl)-9-undécénoate de 2-[(allyloxy)méthyl]-2-[(2-oxiranylméthoxy)méthyl]butyle [French] [ACD/IUPAC Name]
2-[(Allyloxy)methyl]-2-[(2-oxiranylmethoxy)methyl]butyl (9Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoate [ACD/IUPAC Name]
2-[(Allyloxy)methyl]-2-[(2-oxiranylmethoxy)methyl]butyl-(9Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoat [German] [ACD/IUPAC Name]
9-Undecenoic acid, 11-(3-pentyloxiranyl)-, 2-[(oxiranylmethoxy)methyl]-2-[(2-propen-1-yloxy)methyl]butyl ester, (9Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 576.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 238.0±30.2 °C
Index of Refraction: 1.484
Molar Refractivity: 145.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 8.25
ACD/LogD (pH 5.5): 7.47
ACD/BCF (pH 5.5): 279717.19
ACD/KOC (pH 5.5): 275635.88
ACD/LogD (pH 7.4): 7.47
ACD/BCF (pH 7.4): 279717.19
ACD/KOC (pH 7.4): 275635.88
Polar Surface Area: 70 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 507.8±3.0 cm3

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