ChemSpider 2D Image | (9Z)-11-{(2S,3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-9-undecenoic acid | C18H30O3

(9Z)-11-{(2S,3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-9-undecenoic acid

  • Molecular FormulaC18H30O3
  • Average mass294.429 Da
  • Monoisotopic mass294.219482 Da
  • ChemSpider ID35033524

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9Z)-11-{(2S,3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-9-undecenoic acid [ACD/IUPAC Name]
(9Z)-11-{(2S,3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-9-undecensäure [German] [ACD/IUPAC Name]
(9z)-11-{(2s,3s)-3-[(2z)-Pent-2-En-1-Yl]oxiran-2-Yl}undec-9-Enoic Acid
9-Undecenoic acid, 11-[(2S,3S)-3-[(2Z)-2-penten-1-yl]oxiranyl]-, (9Z)- [ACD/Index Name]
Acide (9Z)-11-{(2S,3S)-3-[(2Z)-2-pentén-1-yl]-2-oxiranyl}-9-undécénoïque [French] [ACD/IUPAC 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: 395.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.8±6.0 kJ/mol
Flash Point: 130.6±13.9 °C
Index of Refraction: 1.491
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 732.82
ACD/KOC (pH 5.5): 2320.38
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 11.75
ACD/KOC (pH 7.4): 37.21
Polar Surface Area: 50 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 299.4±3.0 cm3

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