3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane

C35H82O14Si4 — CID 160651354

About 3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane

3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane (PubChem CID 160651354) has the molecular formula C35H82O14Si4 and a molecular weight of 839.37 g/mol. Its IUPAC name is 3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane.

Molecular Properties

• Compound Name: 3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
• PubChem CID: 160651354
• Molecular Formula: C35H82O14Si4
• Molecular Weight: 839.37 g/mol
• Exact Mass: 838.48
• IUPAC Name: 3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
• SMILES: CCO[Si](CCCOCCOCCC[Si](OCC)(OCC)OCC)(OCC)OCC.CO[Si](C)(CCCOCC(C)OCCC[Si](C)(OC)OC)OC
• InChI: InChI=1S/C20H46O8Si2.C15H36O6Si2/c1-7-23-29(24-8-2,25-9-3)19-13-15-21-17-18-22-16-14-20-30(26-10-4,27-11-5)28-12-6;1-15(21-11-9-13-23(7,18-4)19-5)14-20-10-8-12-22(6,16-2)17-3/h7-20H2,1-6H3;15H,8-14H2,1-7H3
• InChIKey: RKLQKWJSWTWQAG-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 129.22 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 38
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	839.37
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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 3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane?

The IUPAC name of 3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane (CID 160651354) is 3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane.

What is the SMILES notation for 3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane?

The canonical SMILES for 3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane is CCO[Si](CCCOCCOCCC[Si](OCC)(OCC)OCC)(OCC)OCC.CO[Si](C)(CCCOCC(C)OCCC[Si](C)(OC)OC)OC.

What is the InChIKey of 3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane?

The InChIKey is RKLQKWJSWTWQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O8Si2.C15H36O6Si2/c1-7-23-29(24-8-2,25-9-3)19-13-15-21-17-18-22-16-14-20-30(26-10-4,27-11-5)28-12-6;1-15(21-11-9-13-23(7,18-4)19-5)14-20-10-8-12-22(6,16-2)17-3/h7-20H2,1-6H3;15H,8-14H2,1-7H3.

What are the key properties of 3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane?

3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane has a molecular weight of 839.37 g/mol, XLogP of 6.81, 38 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane is sourced from PubChem (CID 160651354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).