ChemSpider 2D Image | oleoyl-estrone | C36H54O3

oleoyl-estrone

  • Molecular FormulaC36H54O3
  • Average mass534.812 Da
  • Monoisotopic mass534.407288 Da
  • ChemSpider ID20153369
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3-Hydroxy-1-[(9Z)-9-octadecenoyl]estra-1(10),2,4-trien-17-on [German] [ACD/IUPAC Name]
3-Hydroxy-1-[(9Z)-9-octadecenoyl]estra-1(10),2,4-trien-17-one [ACD/IUPAC Name]
3-Hydroxy-1-[(9Z)-9-octadecenoyl]estra-1(10),2,4-trién-17-one [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-one, 3-hydroxy-1-[(9Z)-1-oxo-9-octadecen-1-yl]- [ACD/Index Name]
oleoyl-estrone [Wiki]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 677.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 377.6±28.0 °C
Index of Refraction: 1.535
Molar Refractivity: 162.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 11.58
ACD/LogD (pH 5.5): 10.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 54 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 521.4±3.0 cm3

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