4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol

C24H50O5Si4 — CID 59029802

About 4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol

4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol (PubChem CID 59029802) has the molecular formula C24H50O5Si4 and a molecular weight of 531.00 g/mol. Its IUPAC name is 4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol.

Molecular Properties

• Compound Name: 4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol
• PubChem CID: 59029802
• Molecular Formula: C24H50O5Si4
• Molecular Weight: 531.00 g/mol
• Exact Mass: 530.27
• IUPAC Name: 4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol
• SMILES: COc1cc(CCC[Si](C)(O[Si](C)(CCCCCCO)O[Si](C)(C)C)[Si](C)(C)C)ccc1O
• InChI: InChI=1S/C24H50O5Si4/c1-27-24-21-22(16-17-23(24)26)15-14-20-33(9,31(5,6)7)29-32(8,28-30(2,3)4)19-13-11-10-12-18-25/h16-17,21,25-26H,10-15,18-20H2,1-9H3
• InChIKey: LLVJINBEJQXAQM-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 68.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.00
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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 4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol?

The IUPAC name of 4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol (CID 59029802) is 4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol.

What is the SMILES notation for 4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol?

The canonical SMILES for 4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol is COc1cc(CCC[Si](C)(O[Si](C)(CCCCCCO)O[Si](C)(C)C)[Si](C)(C)C)ccc1O.

What is the InChIKey of 4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol?

The InChIKey is LLVJINBEJQXAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O5Si4/c1-27-24-21-22(16-17-23(24)26)15-14-20-33(9,31(5,6)7)29-32(8,28-30(2,3)4)19-13-11-10-12-18-25/h16-17,21,25-26H,10-15,18-20H2,1-9H3.

What are the key properties of 4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol?

4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol has a molecular weight of 531.00 g/mol, XLogP of 6.82, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(6-hydroxyhexyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilylsilyl]propyl]-2-methoxyphenol is sourced from PubChem (CID 59029802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).