2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane

C24H50O9Si4 — CID 58646997

About 2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane

2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane (PubChem CID 58646997) has the molecular formula C24H50O9Si4 and a molecular weight of 595.00 g/mol. Its IUPAC name is 2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane.

Molecular Properties

• Compound Name: 2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane
• PubChem CID: 58646997
• Molecular Formula: C24H50O9Si4
• Molecular Weight: 595.00 g/mol
• Exact Mass: 594.25
• IUPAC Name: 2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane
• SMILES: C[Si]1(CCCOCC2CO2)C[Si](C)(CCCOCC2CO2)O[Si](C)(CCCOCC2CO2)O[Si](C)(C)O1
• InChI: InChI=1S/C24H50O9Si4/c1-34(2)31-35(3,12-6-9-25-15-22-18-28-22)21-36(4,13-7-10-26-16-23-19-29-23)33-37(5,32-34)14-8-11-27-17-24-20-30-24/h22-24H,6-21H2,1-5H3
• InChIKey: NACBXIYTXHSSMT-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 92.97 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.00
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane?

The IUPAC name of 2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane (CID 58646997) is 2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane.

What is the SMILES notation for 2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane?

The canonical SMILES for 2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane is C[Si]1(CCCOCC2CO2)C[Si](C)(CCCOCC2CO2)O[Si](C)(CCCOCC2CO2)O[Si](C)(C)O1.

What is the InChIKey of 2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane?

The InChIKey is NACBXIYTXHSSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O9Si4/c1-34(2)31-35(3,12-6-9-25-15-22-18-28-22)21-36(4,13-7-10-26-16-23-19-29-23)33-37(5,32-34)14-8-11-27-17-24-20-30-24/h22-24H,6-21H2,1-5H3.

What are the key properties of 2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane?

2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane has a molecular weight of 595.00 g/mol, XLogP of 3.93, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane is sourced from PubChem (CID 58646997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).