2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol

C20H48O8Si3 — CID 59180551

About 2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol

2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol (PubChem CID 59180551) has the molecular formula C20H48O8Si3 and a molecular weight of 500.85 g/mol. Its IUPAC name is 2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol.

Molecular Properties

• Compound Name: 2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
• PubChem CID: 59180551
• Molecular Formula: C20H48O8Si3
• Molecular Weight: 500.85 g/mol
• Exact Mass: 500.27
• IUPAC Name: 2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
• SMILES: C[Si](C)(CCCOCCO)O[Si](C)(C)O[Si](C)(CCCOCCO)CCCOCCO
• InChI: InChI=1S/C20H48O8Si3/c1-29(2,18-6-12-24-15-9-21)27-30(3,4)28-31(5,19-7-13-25-16-10-22)20-8-14-26-17-11-23/h21-23H,6-20H2,1-5H3
• InChIKey: OEICUGAARSYELM-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 106.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.85
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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 2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol?

The IUPAC name of 2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol (CID 59180551) is 2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol.

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

The canonical SMILES for 2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol is C[Si](C)(CCCOCCO)O[Si](C)(C)O[Si](C)(CCCOCCO)CCCOCCO.

What is the InChIKey of 2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol?

The InChIKey is OEICUGAARSYELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H48O8Si3/c1-29(2,18-6-12-24-15-9-21)27-30(3,4)28-31(5,19-7-13-25-16-10-22)20-8-14-26-17-11-23/h21-23H,6-20H2,1-5H3.

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

2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol has a molecular weight of 500.85 g/mol, XLogP of 2.70, 22 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol is sourced from PubChem (CID 59180551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).