trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane

C20H56O16Si8 — CID 123519058

About trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane

trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane (PubChem CID 123519058) has the molecular formula C20H56O16Si8 and a molecular weight of 777.34 g/mol. Its IUPAC name is trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane.

Molecular Properties

• Compound Name: trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane
• PubChem CID: 123519058
• Molecular Formula: C20H56O16Si8
• Molecular Weight: 777.34 g/mol
• Exact Mass: 776.17
• IUPAC Name: trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane
• SMILES: CO[Si](CC[Si]1(CC[Si](OC)(OC)OC)O[SiH2]O[SiH2]O[Si](CC[Si](OC)(OC)OC)(CC[Si](OC)(OC)OC)O1)(OC)OC
• InChI: InChI=1S/C20H56O16Si8/c1-21-41(22-2,23-3)17-13-39(14-18-42(24-4,25-5)26-6)34-37-33-38-35-40(36-39,15-19-43(27-7,28-8)29-9)16-20-44(30-10,31-11)32-12/h13-20,37-38H2,1-12H3
• InChIKey: YPDZAUDOYGVKMU-UHFFFAOYSA-N
• XLogP: 0.46
• TPSA: 147.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.34
LogP ≤ 5	0.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane?

The IUPAC name of trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane (CID 123519058) is trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane.

What is the SMILES notation for trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane?

The canonical SMILES for trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane is CO[Si](CC[Si]1(CC[Si](OC)(OC)OC)O[SiH2]O[SiH2]O[Si](CC[Si](OC)(OC)OC)(CC[Si](OC)(OC)OC)O1)(OC)OC.

What is the InChIKey of trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane?

The InChIKey is YPDZAUDOYGVKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H56O16Si8/c1-21-41(22-2,23-3)17-13-39(14-18-42(24-4,25-5)26-6)34-37-33-38-35-40(36-39,15-19-43(27-7,28-8)29-9)16-20-44(30-10,31-11)32-12/h13-20,37-38H2,1-12H3.

What are the key properties of trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane?

trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane has a molecular weight of 777.34 g/mol, XLogP of 0.46, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for trimethoxy-[2-[2,4,4-tris(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silane is sourced from PubChem (CID 123519058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).