Chemical Properties of 17.alpha.-Ethynylestradiol, 3-(tert-butyldimethylsilyl) ether

InChI

InChI=1S/C26H38O2Si/c1-8-26(27)16-14-23-22-11-9-18-17-19(28-29(6,7)24(2,3)4)10-12-20(18)21(22)13-15-25(23,26)5/h1,10,12,17,21-23,27H,9,11,13-16H2,2-7H3

InChI Key

CSZIVCGZGDDUNR-UHFFFAOYSA-N

Formula

C26H38O2Si

SMILES

C#CC1(O)CCC2C3CCc4cc(O[Si](C)(C)C(C)(C)C)ccc4C3CCC21C

Molecular Weight¹

410.67

Other Names

• Ethinyl estradiol, tbdms derivative

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• 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, 3-(tert-butyldimethylsilyl) 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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