ChemSpider 2D Image | 2-Hydroxy-1,3-propanediyl (9E,9'E)bis[11-(3-pentyl-2-oxiranyl)-9-undecenoate] | C39H68O7

2-Hydroxy-1,3-propanediyl (9E,9'E)bis[11-(3-pentyl-2-oxiranyl)-9-undecenoate]

  • Molecular FormulaC39H68O7
  • Average mass648.953 Da
  • Monoisotopic mass648.496521 Da
  • ChemSpider ID4751068

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,9'E)Bis[11-(3-pentyl-2-oxiranyl)-9-undécénoate] de 2-hydroxy-1,3-propanediyle [French] [ACD/IUPAC Name]
2-Hydroxy-1,3-propandiyl-(9E,9'E)bis[11-(3-pentyl-2-oxiranyl)-9-undecenoat] [German] [ACD/IUPAC Name]
2-Hydroxy-1,3-propanediyl (9E,9'E)bis[11-(3-pentyl-2-oxiranyl)-9-undecenoate] [ACD/IUPAC Name]
2-Hydroxy-3-((11-(3-pentyl-2-oxiranyl)-9-undecenoyl)oxy)propyl 11-(3-pentyl-2-oxiranyl)-9-undecenoate
9-Undecenoic acid, 11-(3-pentyloxiranyl)-, 2-hydroxy-1,3-propanediyl ester, (9E,9'E)- [ACD/Index Name]

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

AIDS124963 [DBID]
AIDS-124963 [DBID]
NSC56859 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 709.8±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.6±6.0 kJ/mol
Flash Point: 202.5±24.4 °C
Index of Refraction: 1.489
Molar Refractivity: 187.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 11.82
ACD/LogD (pH 5.5): 10.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 98 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 648.1±3.0 cm3

Click to predict properties on the Chemicalize site


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