Chemical Properties of 17.alpha.-Ethynylestradiol, bis(trimethylsilyl) ether

InChI

InChI=1S/C26H40O2Si2/c1-9-26(28-30(6,7)8)17-15-24-23-12-10-19-18-20(27-29(3,4)5)11-13-21(19)22(23)14-16-25(24,26)2/h1,11,13,18,22-24H,10,12,14-17H2,2-8H3/t22-,23-,24+,25+,26-/m1/s1

InChI Key

JERDCJZDIHZFGT-PUHDZGQXSA-N

Formula

C26H40O2Si2

SMILES

C#C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CCc4cc(O[Si](C)(C)C)ccc4[C@H]3CC[C@@]21C

Molecular Weight¹

440.78

Other Names

• 17«alpha»-Ethynyl-3,17-bis[(trimethylsilyl)oxy]estra-1,3,5(10)-triene, (17«beta»)-
• 17«alpha»-Ethynylestradiol, bis(trimethylsilyl) ether
• Ethinylestradiol, bis-TMS
• Ethinylestradiol, TMS
• Ethinyl estradiol, 2tms derivative

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 17.alpha.-Ethynylestradiol, bis(trimethylsilyl) ether.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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