2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol

C16H42O7Si4 — CID 163679889

About 2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol

2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol (PubChem CID 163679889) has the molecular formula C16H42O7Si4 and a molecular weight of 458.85 g/mol. Its IUPAC name is 2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol.

Molecular Properties

• Compound Name: 2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol
• PubChem CID: 163679889
• Molecular Formula: C16H42O7Si4
• Molecular Weight: 458.85 g/mol
• Exact Mass: 458.20
• IUPAC Name: 2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol
• SMILES: C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCOCCOCC(O)O)O[Si](C)(C)C
• InChI: InChI=1S/C16H42O7Si4/c1-24(2,3)21-26(7,8)23-27(9,22-25(4,5)6)14-10-11-19-12-13-20-15-16(17)18/h16-18H,10-15H2,1-9H3
• InChIKey: LMGDKYIWBVGZQG-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 86.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.85
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol?

The IUPAC name of 2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol (CID 163679889) is 2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol.

What is the SMILES notation for 2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol?

The canonical SMILES for 2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol is C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCOCCOCC(O)O)O[Si](C)(C)C.

What is the InChIKey of 2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol?

The InChIKey is LMGDKYIWBVGZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H42O7Si4/c1-24(2,3)21-26(7,8)23-27(9,22-25(4,5)6)14-10-11-19-12-13-20-15-16(17)18/h16-18H,10-15H2,1-9H3.

What are the key properties of 2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol?

2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol has a molecular weight of 458.85 g/mol, XLogP of 3.21, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol is sourced from PubChem (CID 163679889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).