tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane

C108H252O36Si17 — CID 101061227

About tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane

tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane (PubChem CID 101061227) has the molecular formula C108H252O36Si17 and a molecular weight of 2604.63 g/mol. Its IUPAC name is tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane.

Molecular Properties

• Compound Name: tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane
• PubChem CID: 101061227
• Molecular Formula: C108H252O36Si17
• Molecular Weight: 2604.63 g/mol
• Exact Mass: 2601.40
• IUPAC Name: tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane
• SMILES: CCO[Si](CC[Si](CCC[Si](CCC[Si](CC[Si](OCC)(OCC)OCC)(CC[Si](OCC)(OCC)OCC)CC[Si](OCC)(OCC)OCC)(CCC[Si](CC[Si](OCC)(OCC)OCC)(CC[Si](OCC)(OCC)OCC)CC[Si](OCC)(OCC)OCC)CCC[Si](CC[Si](OCC)(OCC)OCC)(CC[Si](OCC)(OCC)OCC)CC[Si](OCC)(OCC)OCC)(CC[Si](OCC)(OCC)OCC)CC[Si](OCC)(OCC)OCC)(OCC)OCC
• InChI: InChI=1S/C108H252O36Si17/c1-37-109-150(110-38-2,111-39-3)97-85-146(86-98-151(112-40-4,113-41-5)114-42-6,87-99-152(115-43-7,116-44-8)117-45-9)81-73-77-145(78-74-82-147(88-100-153(118-46-10,119-47-11)120-48-12,89-101-154(121-49-13,122-50-14)123-51-15)90-102-155(124-52-16,125-53-17)126-54-18,79-75-83-148(91-103-156(127-55-19,128-56-20)129-57-21,92-104-157(130-58-22,131-59-23)132-60-24)93-105-158(133-61-25,134-62-26)135-63-27)80-76-84-149(94-106-159(136-64-28,137-65-29)138-66-30,95-107-160(139-67-31,140-68-32)141-69-33)96-108-161(142-70-34,143-71-35)144-72-36/h37-108H2,1-36H3
• InChIKey: WMKKCPSWSPOAQN-UHFFFAOYSA-N
• XLogP: 27.37
• TPSA: 332.28 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 124
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2604.63
LogP ≤ 5	27.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane?

The IUPAC name of tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane (CID 101061227) is tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane.

What is the SMILES notation for tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane?

The canonical SMILES for tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane is CCO[Si](CC[Si](CCC[Si](CCC[Si](CC[Si](OCC)(OCC)OCC)(CC[Si](OCC)(OCC)OCC)CC[Si](OCC)(OCC)OCC)(CCC[Si](CC[Si](OCC)(OCC)OCC)(CC[Si](OCC)(OCC)OCC)CC[Si](OCC)(OCC)OCC)CCC[Si](CC[Si](OCC)(OCC)OCC)(CC[Si](OCC)(OCC)OCC)CC[Si](OCC)(OCC)OCC)(CC[Si](OCC)(OCC)OCC)CC[Si](OCC)(OCC)OCC)(OCC)OCC.

What is the InChIKey of tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane?

The InChIKey is WMKKCPSWSPOAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H252O36Si17/c1-37-109-150(110-38-2,111-39-3)97-85-146(86-98-151(112-40-4,113-41-5)114-42-6,87-99-152(115-43-7,116-44-8)117-45-9)81-73-77-145(78-74-82-147(88-100-153(118-46-10,119-47-11)120-48-12,89-101-154(121-49-13,122-50-14)123-51-15)90-102-155(124-52-16,125-53-17)126-54-18,79-75-83-148(91-103-156(127-55-19,128-56-20)129-57-21,92-104-157(130-58-22,131-59-23)132-60-24)93-105-158(133-61-25,134-62-26)135-63-27)80-76-84-149(94-106-159(136-64-28,137-65-29)138-66-30,95-107-160(139-67-31,140-68-32)141-69-33)96-108-161(142-70-34,143-71-35)144-72-36/h37-108H2,1-36H3.

What are the key properties of tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane?

tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane has a molecular weight of 2604.63 g/mol, XLogP of 27.37, 124 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane is sourced from PubChem (CID 101061227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).