ChemSpider 2D Image | (9Z,11R)-11-Hydroxy-11-[(2R,3R)-3-pentyl-2-oxiranyl]-9-undecenoic acid | C18H32O4

(9Z,11R)-11-Hydroxy-11-[(2R,3R)-3-pentyl-2-oxiranyl]-9-undecenoic acid

  • Molecular FormulaC18H32O4
  • Average mass312.444 Da
  • Monoisotopic mass312.230072 Da
  • ChemSpider ID29215357
  • 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

(9Z,11R)-11-Hydroxy-11-[(2R,3R)-3-pentyl-2-oxiranyl]-9-undecenoic acid [ACD/IUPAC Name]
(9Z,11R)-11-Hydroxy-11-[(2R,3R)-3-pentyl-2-oxiranyl]-9-undecensäure [German] [ACD/IUPAC Name]
9-Undecenoic acid, 11-hydroxy-11-[(2R,3R)-3-pentyloxiranyl]-, (9Z,11R)- [ACD/Index Name]
Acide (9Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyl-2-oxiranyl]-9-undécénoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 437.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±6.0 kJ/mol
Flash Point: 147.1±15.3 °C
Index of Refraction: 1.497
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 439.70
ACD/KOC (pH 5.5): 1609.23
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 7.05
ACD/KOC (pH 7.4): 25.80
Polar Surface Area: 70 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 301.3±3.0 cm3

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