ChemSpider 2D Image | oleoyl-estrone | C36H54O3

oleoyl-estrone

  • Molecular FormulaC36H54O3
  • Average mass534.812 Da
  • Monoisotopic mass534.407288 Da
  • ChemSpider ID5293576

  • 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

(9Z)-9-Octadécénoate de 17-oxoestra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
17-Oxoestra-1,3,5(10)-trien-3-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
17-Oxoestra-1,3,5(10)-trien-3-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
180003-17-2 [RN]
9-Octadecenoic acid, 17-oxoestra-1,3,5(10)-trien-3-yl ester, (9Z)- [ACD/Index Name]
Estrone 3-oleate
oleoyl-estrone [Wiki]
Oleoylestrone
(1S,10R,11S,15S)-15-methyl-14-oxotetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-5-yl (9Z)-octadec-9-enoate
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
More...

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

64R56KMG1Z [DBID]
UNII:64R56KMG1Z [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 644.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 264.4±31.5 °C
Index of Refraction: 1.523
Molar Refractivity: 161.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 11.74
ACD/LogD (pH 5.5): 10.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 43 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 529.1±3.0 cm3

Click to predict properties on the Chemicalize site


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