trimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane

C17H36N4O3Si4 — CID 530236

IUPACtrimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane
SMILESC[Si](C)(C)Oc1nc(O[Si](C)(C)C)c2nc(O[Si](C)(C)C)n([Si](C)(C)C)c2n1
InChIInChI=1S/C17H36N4O3Si4/c1-25(2,3)21-14-13(18-17(21)24-28(10,11)12)15(22-26(4,5)6)20-16(19-14)23-27(7,8)9/h1-12H3
InChIKeyAFJHZOLZVMKSLY-UHFFFAOYSA-N
MW456.84 g/mol
LogP5.15
Rot. Bonds7

About trimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane

trimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane (PubChem CID 530236) has the molecular formula C17H36N4O3Si4 and a molecular weight of 456.84 g/mol. Its IUPAC name is trimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane
PubChem CID530236
Molecular FormulaC17H36N4O3Si4
Molecular Weight456.84 g/mol
Exact Mass456.19
IUPAC Nametrimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane
SMILESC[Si](C)(C)Oc1nc(O[Si](C)(C)C)c2nc(O[Si](C)(C)C)n([Si](C)(C)C)c2n1
InChIInChI=1S/C17H36N4O3Si4/c1-25(2,3)21-14-13(18-17(21)24-28(10,11)12)15(22-26(4,5)6)20-16(19-14)23-27(7,8)9/h1-12H3
InChIKeyAFJHZOLZVMKSLY-UHFFFAOYSA-N
XLogP5.15
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.84
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane?
The IUPAC name of trimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane (CID 530236) is trimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane.
What is the SMILES notation for trimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane?
The canonical SMILES for trimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane is C[Si](C)(C)Oc1nc(O[Si](C)(C)C)c2nc(O[Si](C)(C)C)n([Si](C)(C)C)c2n1.
What is the InChIKey of trimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane?
The InChIKey is AFJHZOLZVMKSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O3Si4/c1-25(2,3)21-14-13(18-17(21)24-28(10,11)12)15(22-26(4,5)6)20-16(19-14)23-27(7,8)9/h1-12H3.
What are the key properties of trimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane?
trimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane has a molecular weight of 456.84 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[9-trimethylsilyl-2,6-bis(trimethylsilyloxy)purin-8-yl]oxysilane is sourced from PubChem (CID 530236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).