trimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane

C17H36N4OSi4 — CID 90952529

IUPACtrimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane
SMILESC[Si](C)(C)Oc1nc([Si](C)(C)C)nc2nc([Si](C)(C)C)n([Si](C)(C)C)c12
InChIInChI=1S/C17H36N4OSi4/c1-23(2,3)16-18-14-13(15(20-16)22-26(10,11)12)21(25(7,8)9)17(19-14)24(4,5)6/h1-12H3
InChIKeySGCFWWROXDOONZ-UHFFFAOYSA-N
MW424.85 g/mol
LogP3.81
Rot. Bonds5

About trimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane

trimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane (PubChem CID 90952529) has the molecular formula C17H36N4OSi4 and a molecular weight of 424.85 g/mol. Its IUPAC name is trimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane
PubChem CID90952529
Molecular FormulaC17H36N4OSi4
Molecular Weight424.85 g/mol
Exact Mass424.20
IUPAC Nametrimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane
SMILESC[Si](C)(C)Oc1nc([Si](C)(C)C)nc2nc([Si](C)(C)C)n([Si](C)(C)C)c12
InChIInChI=1S/C17H36N4OSi4/c1-23(2,3)16-18-14-13(15(20-16)22-26(10,11)12)21(25(7,8)9)17(19-14)24(4,5)6/h1-12H3
InChIKeySGCFWWROXDOONZ-UHFFFAOYSA-N
XLogP3.81
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.85
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane?
The IUPAC name of trimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane (CID 90952529) is trimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane.
What is the SMILES notation for trimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane?
The canonical SMILES for trimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane is C[Si](C)(C)Oc1nc([Si](C)(C)C)nc2nc([Si](C)(C)C)n([Si](C)(C)C)c12.
What is the InChIKey of trimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane?
The InChIKey is SGCFWWROXDOONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4OSi4/c1-23(2,3)16-18-14-13(15(20-16)22-26(10,11)12)21(25(7,8)9)17(19-14)24(4,5)6/h1-12H3.
What are the key properties of trimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane?
trimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane has a molecular weight of 424.85 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2,7,8-tris(trimethylsilyl)purin-6-yl]oxysilane is sourced from PubChem (CID 90952529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).