ChemSpider 2D Image | 11-[(2S,3S)-3-Pentyl-2-oxiranyl]undecanoic acid | C18H34O3

11-[(2S,3S)-3-Pentyl-2-oxiranyl]undecanoic acid

  • Molecular FormulaC18H34O3
  • Average mass298.461 Da
  • Monoisotopic mass298.250793 Da
  • ChemSpider ID61712991

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

11-[(2S,3S)-3-Pentyl-2-oxiranyl]undecanoic acid [ACD/IUPAC Name]
11-[(2S,3S)-3-Pentyl-2-oxiranyl]undecansäure [German] [ACD/IUPAC Name]
2-Oxiraneundecanoic acid, 3-pentyl-, (2S,3S)- [ACD/Index Name]
Acide 11-[(2S,3S)-3-pentyl-2-oxiranyl]undécanoïque [French] [ACD/IUPAC Name]
(9z)-11-{(2s,3s)-3-[(2z)-Pent-2-En-1-Yl]oxiran-2-Yl}undec-9-Enoic Acid
10X

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

Density: 1.0±0.1 g/cm3
Boiling Point: 422.7±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.3±6.0 kJ/mol
Flash Point: 141.0±14.7 °C
Index of Refraction: 1.467
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 2190.56
ACD/KOC (pH 5.5): 5087.03
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 35.14
ACD/KOC (pH 7.4): 81.61
Polar Surface Area: 50 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 312.1±3.0 cm3

Click to predict properties on the Chemicalize site


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