Chemical Properties of Alprenolol, N-trimethylsilyl-, trimethylsilyl ether

InChI

InChI=1S/C21H39NO2Si2/c1-10-13-19-14-11-12-15-21(19)23-17-20(24-26(7,8)9)16-22(18(2)3)25(4,5)6/h10-12,14-15,18,20H,1,13,16-17H2,2-9H3

InChI Key

XUNRRDCXXWUGPE-UHFFFAOYSA-N

Formula

C21H39NO2Si2

SMILES

C=CCc1ccccc1OCC(CN(C(C)C)[Si](C)(C)C)O[Si](C)(C)C

Molecular Weight¹

393.72

Other Names

• Alprenolol, 2tms derivative

• 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
log10WS	-3.28		Relay (1.0) Calculated Property
logPoct/wat	5.559		Crippen Calculated Property
Inp	[2070.40; 2070.40]
Inp	2070.40		NIST
Inp	2070.40		NIST
Tfus	285.19	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, Ionization energy 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 Alprenolol, N-trimethylsilyl-, 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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