8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane

C35H78O3Si3 — CID 169040245

About 8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane

8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane (PubChem CID 169040245) has the molecular formula C35H78O3Si3 and a molecular weight of 631.26 g/mol. Its IUPAC name is 8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane.

Molecular Properties

• Compound Name: 8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane
• PubChem CID: 169040245
• Molecular Formula: C35H78O3Si3
• Molecular Weight: 631.26 g/mol
• Exact Mass: 630.53
• IUPAC Name: 8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane
• SMILES: CCOCCCCCCCCCC[Si](C)(C)CCCCCCCC[Si](C)(C)CCCCCCCC[Si](C)(OC)OC
• InChI: InChI=1S/C35H78O3Si3/c1-9-38-30-24-18-12-10-11-13-19-25-31-39(4,5)32-26-20-14-15-21-27-33-40(6,7)34-28-22-16-17-23-29-35-41(8,36-2)37-3/h9-35H2,1-8H3
• InChIKey: TWHLTRFFQNQJOS-UHFFFAOYSA-N
• XLogP: 12.61
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 32
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.26
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane?

The IUPAC name of 8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane (CID 169040245) is 8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane.

What is the SMILES notation for 8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane?

The canonical SMILES for 8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane is CCOCCCCCCCCCC[Si](C)(C)CCCCCCCC[Si](C)(C)CCCCCCCC[Si](C)(OC)OC.

What is the InChIKey of 8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane?

The InChIKey is TWHLTRFFQNQJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H78O3Si3/c1-9-38-30-24-18-12-10-11-13-19-25-31-39(4,5)32-26-20-14-15-21-27-33-40(6,7)34-28-22-16-17-23-29-35-41(8,36-2)37-3/h9-35H2,1-8H3.

What are the key properties of 8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane?

8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane has a molecular weight of 631.26 g/mol, XLogP of 12.61, 32 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane is sourced from PubChem (CID 169040245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).