triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane

C108H206O18S24Si6 — CID 90977505

About triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane

triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane (PubChem CID 90977505) has the molecular formula C108H206O18S24Si6 and a molecular weight of 2730.94 g/mol. Its IUPAC name is triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane.

Molecular Properties

• Compound Name: triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane
• PubChem CID: 90977505
• Molecular Formula: C108H206O18S24Si6
• Molecular Weight: 2730.94 g/mol
• Exact Mass: 2726.71
• IUPAC Name: triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane
• SMILES: CCO[Si](OCC)(OCC)C1(SSSSC(CCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C)(SSSSC2([Si](OCC)(OCC)OCC)CC3CCC2C3)C(C)(SSSSC2([Si](OCC)(OCC)OCC)CC3CCC2C3)C(SSSSC2([Si](OCC)(OCC)OCC)CC3CCC2C3)(SSSSC2([Si](OCC)(OCC)OCC)CC3CCC2C3)SSSSC2([Si](OCC)(OCC)OCC)CC3CCC2C3)CC2CCC1C2
• InChI: InChI=1S/C108H206O18S24Si6/c1-26-109-151(110-27-2,111-28-3)101(77-88-57-63-94(101)71-88)128-140-139-127-100(25,108(136-148-143-131-104(80-91-60-66-97(104)74-91)154(118-35-10,119-36-11)120-37-12,137-149-144-132-105(81-92-61-67-98(105)75-92)155(121-38-13,122-39-14)123-40-15)138-150-145-133-106(82-93-62-68-99(106)76-93)156(124-41-16,125-42-17)126-43-18)107(134-146-141-129-102(78-89-58-64-95(102)72-89)152(112-29-4,113-30-5)114-31-6,135-147-142-130-103(79-90-59-65-96(103)73-90)153(115-32-7,116-33-8)117-34-9)70-69-87(24)56-48-54-85(22)51-45-44-50-84(21)53-47-55-86(23)52-46-49-83(19)20/h83-99H,26-82H2,1-25H3
• InChIKey: WVGTUDRJARDKRF-UHFFFAOYSA-N
• XLogP: 41.09
• TPSA: 166.14 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 94
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2730.94
LogP ≤ 5	41.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane?

The IUPAC name of triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane (CID 90977505) is triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane.

What is the SMILES notation for triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane?

The canonical SMILES for triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane is CCO[Si](OCC)(OCC)C1(SSSSC(CCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C)(SSSSC2([Si](OCC)(OCC)OCC)CC3CCC2C3)C(C)(SSSSC2([Si](OCC)(OCC)OCC)CC3CCC2C3)C(SSSSC2([Si](OCC)(OCC)OCC)CC3CCC2C3)(SSSSC2([Si](OCC)(OCC)OCC)CC3CCC2C3)SSSSC2([Si](OCC)(OCC)OCC)CC3CCC2C3)CC2CCC1C2.

What is the InChIKey of triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane?

The InChIKey is WVGTUDRJARDKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H206O18S24Si6/c1-26-109-151(110-27-2,111-28-3)101(77-88-57-63-94(101)71-88)128-140-139-127-100(25,108(136-148-143-131-104(80-91-60-66-97(104)74-91)154(118-35-10,119-36-11)120-37-12,137-149-144-132-105(81-92-61-67-98(105)75-92)155(121-38-13,122-39-14)123-40-15)138-150-145-133-106(82-93-62-68-99(106)76-93)156(124-41-16,125-42-17)126-43-18)107(134-146-141-129-102(78-89-58-64-95(102)72-89)152(112-29-4,113-30-5)114-31-6,135-147-142-130-103(79-90-59-65-96(103)73-90)153(115-32-7,116-33-8)117-34-9)70-69-87(24)56-48-54-85(22)51-45-44-50-84(21)53-47-55-86(23)52-46-49-83(19)20/h83-99H,26-82H2,1-25H3.

What are the key properties of triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane?

triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane has a molecular weight of 2730.94 g/mol, XLogP of 41.09, 94 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane is sourced from PubChem (CID 90977505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).