2-[3-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol

C19H50O9Si5 — CID 157187405

About 2-[3-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol

2-[3-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol (PubChem CID 157187405) has the molecular formula C19H50O9Si5 and a molecular weight of 563.03 g/mol. Its IUPAC name is 2-[3-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol.

Molecular Properties

• Compound Name: 2-[3-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol
• PubChem CID: 157187405
• Molecular Formula: C19H50O9Si5
• Molecular Weight: 563.03 g/mol
• Exact Mass: 562.23
• IUPAC Name: 2-[3-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol
• SMILES: C[SiH2]O[Si@@](C)(OCO[Si](C)(C)CCCOCCO)O[Si](C)(C)O[Si](C)(C)CCCOCCO
• InChI: InChI=1S/C19H50O9Si5/c1-29-26-33(8,25-19-24-30(2,3)17-9-13-22-15-11-20)28-32(6,7)27-31(4,5)18-10-14-23-16-12-21/h20-21H,9-19,29H2,1-8H3/t33-/m1/s1
• InChIKey: VLEVBHPRMGBVAX-MGBGTMOVSA-N
• XLogP: 2.64
• TPSA: 105.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.03
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol?

The IUPAC name of 2-[3-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol (CID 157187405) is 2-[3-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol.

What is the SMILES notation for 2-[3-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol?

The canonical SMILES for 2-[3-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol is C[SiH2]O[Si@@](C)(OCO[Si](C)(C)CCCOCCO)O[Si](C)(C)O[Si](C)(C)CCCOCCO.

What is the InChIKey of 2-[3-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol?

The InChIKey is VLEVBHPRMGBVAX-MGBGTMOVSA-N. The full InChI is InChI=1S/C19H50O9Si5/c1-29-26-33(8,25-19-24-30(2,3)17-9-13-22-15-11-20)28-32(6,7)27-31(4,5)18-10-14-23-16-12-21/h20-21H,9-19,29H2,1-8H3/t33-/m1/s1.

What are the key properties of 2-[3-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol?

2-[3-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol has a molecular weight of 563.03 g/mol, XLogP of 2.64, 22 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-methylsilyloxysilyl]oxymethoxy-dimethylsilyl]propoxy]ethanol is sourced from PubChem (CID 157187405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).