Chemical Properties of Estra-1,3,5(10)-trien-17-one, 3-[(trimethylsilyl)oxy]-

InChI

InChI=1S/C21H30O2Si/c1-21-12-11-17-16-8-6-15(23-24(2,3)4)13-14(16)5-7-18(17)19(21)9-10-20(21)22/h6,8,13,17-19H,5,7,9-12H2,1-4H3

InChI Key

FRJOUBWXHQBBER-UHFFFAOYSA-N

Formula

C21H30O2Si

SMILES

CC12CCC3c4ccc(O[Si](C)(C)C)cc4CCC3C1CCC2=O

Molecular Weight¹

342.55

Other Names

• Estra-1,3,5(10)-trien-17-one, 3-[(trimethylsilyl)oxy]-
• Estra-1,3,5(10)-trien-17-one, 3-(trimethylsiloxy)-
• Estrone trimethylsilyl ether
• Estrone-TMS ether
• Oestrone, TMS
• Estrone, tms 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

Property	Value	Unit	Source
IE	8.26	eV	Relay (1.0) Calculated Property
log10WS	-5.41		Relay (1.0) Calculated Property
logPoct/wat	5.325		Crippen Calculated Property
Inp	[2532.00; 2535.00]
Inp	2532.00		NIST
Inp	2535.00		NIST
Inp	2535.00		NIST
Tfus	407.33	K	Relay (1.0) Calculated Property

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 Estra-1,3,5(10)-trien-17-one, 3-[(trimethylsilyl)oxy]-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.