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

C22H56O7Si5 — CID 163704378

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

2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-octylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol (PubChem CID 163704378) has the molecular formula C22H56O7Si5 and a molecular weight of 573.11 g/mol. Its IUPAC name is 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-octylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol.

Molecular Properties

• Compound Name: 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-octylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol
• PubChem CID: 163704378
• Molecular Formula: C22H56O7Si5
• Molecular Weight: 573.11 g/mol
• Exact Mass: 572.29
• IUPAC Name: 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-octylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol
• SMILES: CCCCCCCC[Si](C)(O[SiH](C)O[Si](C)(C)C)O[Si](C)(CCCOCC(O)O)O[Si](C)(C)C
• InChI: InChI=1S/C22H56O7Si5/c1-11-12-13-14-15-16-19-33(9,27-30(2)26-31(3,4)5)29-34(10,28-32(6,7)8)20-17-18-25-21-22(23)24/h22-24,30H,11-21H2,1-10H3
• InChIKey: WNQJHPBFJHMPAX-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 86.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 21
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.11
LogP ≤ 5	5.79
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-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-octylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol?

The IUPAC name of 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-octylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol (CID 163704378) is 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-octylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol.

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

The canonical SMILES for 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-octylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol is CCCCCCCC[Si](C)(O[SiH](C)O[Si](C)(C)C)O[Si](C)(CCCOCC(O)O)O[Si](C)(C)C.

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

The InChIKey is WNQJHPBFJHMPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H56O7Si5/c1-11-12-13-14-15-16-19-33(9,27-30(2)26-31(3,4)5)29-34(10,28-32(6,7)8)20-17-18-25-21-22(23)24/h22-24,30H,11-21H2,1-10H3.

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

2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-octylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol has a molecular weight of 573.11 g/mol, XLogP of 5.79, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-octylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol is sourced from PubChem (CID 163704378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).