Chemical Properties of 7-Methylxanthine, bis(trimethylsilyl) derivative

InChI

InChI=1S/C12H22N4O2Si2/c1-14-8-13-10-9(14)11(17)16(20(5,6)7)12(18)15(10)19(2,3)4/h8H,1-7H3

InChI Key

XGBUDYKEDOGSQK-UHFFFAOYSA-N

Formula

C12H22N4O2Si2

SMILES

Cn1cnc2c1c(=O)n([Si](C)(C)C)c(=O)n2[Si](C)(C)C

Molecular Weight¹

310.50

Other Names

• 7-Methylxanthine, 2tms 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	8.28	eV	Relay (1.0) Calculated Property
log10WS	-2.11		Relay (1.0) Calculated Property
logPoct/wat	1.263		Crippen Calculated Property
Inp	[2054.40; 2054.40]
Inp	2054.40		NIST
Inp	2054.40		NIST
Tfus	465.71	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 7-Methylxanthine, bis(trimethylsilyl) derivative.

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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