triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane

C72H108O6Si6 — CID 102086365

About triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane

triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane (PubChem CID 102086365) has the molecular formula C72H108O6Si6 and a molecular weight of 1238.17 g/mol. Its IUPAC name is triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane.

Molecular Properties

• Compound Name: triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane
• PubChem CID: 102086365
• Molecular Formula: C72H108O6Si6
• Molecular Weight: 1238.17 g/mol
• Exact Mass: 1236.68
• IUPAC Name: triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane
• SMILES: CC[Si](C#CC1(OC)C#CC(C#C[Si](CC)(CC)CC)(OC)C#CC(C#C[Si](CC)(CC)CC)(OC)C#CC(C#C[Si](CC)(CC)CC)(OC)C#CC(C#C[Si](CC)(CC)CC)(OC)C#CC(C#C[Si](CC)(CC)CC)(OC)C#C1)(CC)CC
• InChI: InChI=1S/C72H108O6Si6/c1-25-79(26-2,27-3)61-55-67(73-19)43-45-68(74-20,56-62-80(28-4,29-5)30-6)47-49-70(76-22,58-64-82(34-10,35-11)36-12)51-53-72(78-24,60-66-84(40-16,41-17)42-18)54-52-71(77-23,59-65-83(37-13,38-14)39-15)50-48-69(75-21,46-44-67)57-63-81(31-7,32-8)33-9/h25-42H2,1-24H3
• InChIKey: KXGKYUNLMSQBOD-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 24
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1238.17
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane?

The IUPAC name of triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane (CID 102086365) is triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane.

What is the SMILES notation for triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane?

The canonical SMILES for triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane is CC[Si](C#CC1(OC)C#CC(C#C[Si](CC)(CC)CC)(OC)C#CC(C#C[Si](CC)(CC)CC)(OC)C#CC(C#C[Si](CC)(CC)CC)(OC)C#CC(C#C[Si](CC)(CC)CC)(OC)C#CC(C#C[Si](CC)(CC)CC)(OC)C#C1)(CC)CC.

What is the InChIKey of triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane?

The InChIKey is KXGKYUNLMSQBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H108O6Si6/c1-25-79(26-2,27-3)61-55-67(73-19)43-45-68(74-20,56-62-80(28-4,29-5)30-6)47-49-70(76-22,58-64-82(34-10,35-11)36-12)51-53-72(78-24,60-66-84(40-16,41-17)42-18)54-52-71(77-23,59-65-83(37-13,38-14)39-15)50-48-69(75-21,46-44-67)57-63-81(31-7,32-8)33-9/h25-42H2,1-24H3.

What are the key properties of triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane?

triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane has a molecular weight of 1238.17 g/mol, XLogP of 14.64, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[2-[1,4,7,10,13,16-hexamethoxy-4,7,10,13,16-pentakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayn-1-yl]ethynyl]silane is sourced from PubChem (CID 102086365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).