3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane

C68H164O28Si13 — CID 157122968

About 3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane

3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane (PubChem CID 157122968) has the molecular formula C68H164O28Si13 and a molecular weight of 1795.15 g/mol. Its IUPAC name is 3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane.

Molecular Properties

• Compound Name: 3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane
• PubChem CID: 157122968
• Molecular Formula: C68H164O28Si13
• Molecular Weight: 1795.15 g/mol
• Exact Mass: 1792.84
• IUPAC Name: 3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane
• SMILES: CCOCCC[Si](CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
• InChI: InChI=1S/C68H164O28Si13/c1-29-96-43-30-44-97(45-31-48-98(51-34-60-101(69-2,70-3)71-4,52-35-61-102(72-5,73-6)74-7)53-36-62-103(75-8,76-9)77-10,46-32-49-99(54-37-63-104(78-11,79-12)80-13,55-38-64-105(81-14,82-15)83-16)56-39-65-106(84-17,85-18)86-19)47-33-50-100(57-40-66-107(87-20,88-21)89-22,58-41-67-108(90-23,91-24)92-25)59-42-68-109(93-26,94-27)95-28/h29-68H2,1-28H3
• InChIKey: KPGXDXJCWYSNMQ-UHFFFAOYSA-N
• XLogP: 14.79
• TPSA: 258.44 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 80
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1795.15
LogP ≤ 5	14.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane?

The IUPAC name of 3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane (CID 157122968) is 3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane.

What is the SMILES notation for 3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane?

The canonical SMILES for 3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane is CCOCCC[Si](CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.

What is the InChIKey of 3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane?

The InChIKey is KPGXDXJCWYSNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H164O28Si13/c1-29-96-43-30-44-97(45-31-48-98(51-34-60-101(69-2,70-3)71-4,52-35-61-102(72-5,73-6)74-7)53-36-62-103(75-8,76-9)77-10,46-32-49-99(54-37-63-104(78-11,79-12)80-13,55-38-64-105(81-14,82-15)83-16)56-39-65-106(84-17,85-18)86-19)47-33-50-100(57-40-66-107(87-20,88-21)89-22,58-41-67-108(90-23,91-24)92-25)59-42-68-109(93-26,94-27)95-28/h29-68H2,1-28H3.

What are the key properties of 3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane?

3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane has a molecular weight of 1795.15 g/mol, XLogP of 14.79, 80 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane is sourced from PubChem (CID 157122968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).