1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol

C15H40O9Si5 — CID 123597882

About 1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol

1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol (PubChem CID 123597882) has the molecular formula C15H40O9Si5 and a molecular weight of 504.91 g/mol. Its IUPAC name is 1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol
• PubChem CID: 123597882
• Molecular Formula: C15H40O9Si5
• Molecular Weight: 504.91 g/mol
• Exact Mass: 504.15
• IUPAC Name: 1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol
• SMILES: CO[Si](CC[Si]1(C)O[SiH](C)O[Si](C)(CCCOCC(C)O)O[SiH](C)O1)(OC)OC
• InChI: InChI=1S/C15H40O9Si5/c1-15(16)14-20-10-9-11-27(7)21-25(5)23-28(8,24-26(6)22-27)12-13-29(17-2,18-3)19-4/h15-16,25-26H,9-14H2,1-8H3
• InChIKey: DIKIRISCXFSZMF-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.91
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	1
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'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol?

The IUPAC name of 1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol (CID 123597882) is 1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol.

What is the SMILES notation for 1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol?

The canonical SMILES for 1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol is CO[Si](CC[Si]1(C)O[SiH](C)O[Si](C)(CCCOCC(C)O)O[SiH](C)O1)(OC)OC.

What is the InChIKey of 1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol?

The InChIKey is DIKIRISCXFSZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H40O9Si5/c1-15(16)14-20-10-9-11-27(7)21-25(5)23-28(8,24-26(6)22-27)12-13-29(17-2,18-3)19-4/h15-16,25-26H,9-14H2,1-8H3.

What are the key properties of 1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol?

1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol has a molecular weight of 504.91 g/mol, XLogP of 1.58, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2,4,6,8-tetramethyl-6-(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propan-2-ol is sourced from PubChem (CID 123597882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).