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Search term: 113369140 (Found by CSID)
ChemSpider 2D Image | 7-{(2R,3R)-3-[(4Z,6Z)-4,6-Nonadien-1-yl]-2-oxiranyl}-4,6-heptadiynoic acid | C18H22O3

7-{(2R,3R)-3-[(4Z,6Z)-4,6-Nonadien-1-yl]-2-oxiranyl}-4,6-heptadiynoic acid

  • Molecular FormulaC18H22O3
  • Average mass286.366 Da
  • Monoisotopic mass286.156891 Da
  • ChemSpider ID113369140

  • 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

4,6-Heptadiynoic acid, 7-[(2R,3R)-3-[(4Z,6Z)-4,6-nonadien-1-yl]oxiranyl]- [ACD/Index Name]
7-{(2R,3R)-3-[(4Z,6Z)-4,6-Nonadien-1-yl]-2-oxiranyl}-4,6-heptadiinsäure [German] [ACD/IUPAC Name]
7-{(2R,3R)-3-[(4Z,6Z)-4,6-Nonadien-1-yl]-2-oxiranyl}-4,6-heptadiynoic acid [ACD/IUPAC Name]
Acide 7-{(2R,3R)-3-[(4Z,6Z)-4,6-nonadién-1-yl]-2-oxiranyl}-4,6-heptadiynoïque [French] [ACD/IUPAC Name]
8R,9R-epoxy-eicosa-13Z,15Z-dien-4,6-diynoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 475.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.9±6.0 kJ/mol
Flash Point: 169.6±22.2 °C
Index of Refraction: 1.545
Molar Refractivity: 82.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 30.50
ACD/KOC (pH 5.5): 162.88
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.82
Polar Surface Area: 50 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 261.2±5.0 cm3

Click to predict properties on the Chemicalize site


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