2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C25H52O10Si4 — CID 140764013

About 2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 140764013) has the molecular formula C25H52O10Si4 and a molecular weight of 625.03 g/mol. Its IUPAC name is 2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

• Compound Name: 2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• PubChem CID: 140764013
• Molecular Formula: C25H52O10Si4
• Molecular Weight: 625.03 g/mol
• Exact Mass: 624.26
• IUPAC Name: 2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• SMILES: CCC[Si]1(C)O[Si](C)(CCCOCC2CO2)O[Si](C)(CCCOCC2CO2)O[Si](C)(CCCOCC2CO2)O1
• InChI: InChI=1S/C25H52O10Si4/c1-6-13-36(2)32-37(3,14-7-10-26-17-23-20-29-23)34-39(5,16-9-12-28-19-25-22-31-25)35-38(4,33-36)15-8-11-27-18-24-21-30-24/h23-25H,6-22H2,1-5H3
• InChIKey: KZSRIOVKTUEHAZ-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 102.20 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.03
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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 2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

The IUPAC name of 2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 140764013) is 2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

What is the SMILES notation for 2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

The canonical SMILES for 2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCC[Si]1(C)O[Si](C)(CCCOCC2CO2)O[Si](C)(CCCOCC2CO2)O[Si](C)(CCCOCC2CO2)O1.

What is the InChIKey of 2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

The InChIKey is KZSRIOVKTUEHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O10Si4/c1-6-13-36(2)32-37(3,14-7-10-26-17-23-20-29-23)34-39(5,16-9-12-28-19-25-22-31-25)35-38(4,33-36)15-8-11-27-18-24-21-30-24/h23-25H,6-22H2,1-5H3.

What are the key properties of 2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 625.03 g/mol, XLogP of 4.18, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 140764013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).