trimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane

C12H22N4O2Si2 — CID 530086

IUPACtrimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane
SMILESCn1c(O[Si](C)(C)C)nc(O[Si](C)(C)C)c2ncnc1-2
InChIInChI=1S/C12H22N4O2Si2/c1-16-10-9(13-8-14-10)11(17-19(2,3)4)15-12(16)18-20(5,6)7/h8H,1-7H3
InChIKeyJSOSLNJQDQLTGO-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.74
Rot. Bonds4

About trimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane

trimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane (PubChem CID 530086) has the molecular formula C12H22N4O2Si2 and a molecular weight of 310.51 g/mol. Its IUPAC name is trimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane.

Molecular Properties

Compound Nametrimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane
PubChem CID530086
Molecular FormulaC12H22N4O2Si2
Molecular Weight310.51 g/mol
Exact Mass310.13
IUPAC Nametrimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane
SMILESCn1c(O[Si](C)(C)C)nc(O[Si](C)(C)C)c2ncnc1-2
InChIInChI=1S/C12H22N4O2Si2/c1-16-10-9(13-8-14-10)11(17-19(2,3)4)15-12(16)18-20(5,6)7/h8H,1-7H3
InChIKeyJSOSLNJQDQLTGO-UHFFFAOYSA-N
XLogP2.74
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane?
The IUPAC name of trimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane (CID 530086) is trimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane.
What is the SMILES notation for trimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane?
The canonical SMILES for trimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane is Cn1c(O[Si](C)(C)C)nc(O[Si](C)(C)C)c2ncnc1-2.
What is the InChIKey of trimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane?
The InChIKey is JSOSLNJQDQLTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2Si2/c1-16-10-9(13-8-14-10)11(17-19(2,3)4)15-12(16)18-20(5,6)7/h8H,1-7H3.
What are the key properties of trimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane?
trimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane has a molecular weight of 310.51 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane is sourced from PubChem (CID 530086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).