8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal

C29H66O9Si5 — CID 158717181

About 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal

8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal (PubChem CID 158717181) has the molecular formula C29H66O9Si5 and a molecular weight of 699.27 g/mol. Its IUPAC name is 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal.

Molecular Properties

• Compound Name: 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal
• PubChem CID: 158717181
• Molecular Formula: C29H66O9Si5
• Molecular Weight: 699.27 g/mol
• Exact Mass: 698.36
• IUPAC Name: 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal
• SMILES: C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCOCCOCCCCCCCC=O)O[Si](C)(CCCOCC1CO1)O[Si](C)(C)C
• InChI: InChI=1S/C29H66O9Si5/c1-39(2,3)35-41(7,8)37-43(10,26-17-21-32-24-23-31-20-16-14-12-11-13-15-19-30)38-42(9,36-40(4,5)6)25-18-22-33-27-29-28-34-29/h19,29H,11-18,20-28H2,1-10H3
• InChIKey: GLGFCNCJHAJNMT-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 94.21 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 29
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.27
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal?

The IUPAC name of 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal (CID 158717181) is 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal.

What is the SMILES notation for 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal?

The canonical SMILES for 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal is C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCOCCOCCCCCCCC=O)O[Si](C)(CCCOCC1CO1)O[Si](C)(C)C.

What is the InChIKey of 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal?

The InChIKey is GLGFCNCJHAJNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H66O9Si5/c1-39(2,3)35-41(7,8)37-43(10,26-17-21-32-24-23-31-20-16-14-12-11-13-15-19-30)38-42(9,36-40(4,5)6)25-18-22-33-27-29-28-34-29/h19,29H,11-18,20-28H2,1-10H3.

What are the key properties of 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal?

8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal has a molecular weight of 699.27 g/mol, XLogP of 7.34, 29 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octanal is sourced from PubChem (CID 158717181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).