3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

C51H108O13SSi — CID 160625351

About 3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 160625351) has the molecular formula C51H108O13SSi and a molecular weight of 989.56 g/mol. Its IUPAC name is 3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 160625351
• Molecular Formula: C51H108O13SSi
• Molecular Weight: 989.56 g/mol
• Exact Mass: 988.73
• IUPAC Name: 3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CCCCCCCCCCCCCOCCOCCOCCOCCOCCO[Si](CCCS)(CCCCCCCCCCCCC)OCC.OCCOCCOCCOCCOCCO
• InChI: InChI=1S/C41H86O7SSi.C10H22O6/c1-4-7-9-11-13-15-17-19-21-23-25-28-42-29-30-43-31-32-44-33-34-45-35-36-46-37-38-48-50(47-6-3,41-27-39-49)40-26-24-22-20-18-16-14-12-10-8-5-2;11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h49H,4-41H2,1-3H3;11-12H,1-10H2
• InChIKey: RHFNUMGSPSKKER-UHFFFAOYSA-N
• XLogP: 10.54
• TPSA: 141.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 58
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	989.56
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (CID 160625351) is 3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCCCCCCCOCCOCCOCCOCCOCCO[Si](CCCS)(CCCCCCCCCCCCC)OCC.OCCOCCOCCOCCOCCO.

What is the InChIKey of 3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is RHFNUMGSPSKKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H86O7SSi.C10H22O6/c1-4-7-9-11-13-15-17-19-21-23-25-28-42-29-30-43-31-32-44-33-34-45-35-36-46-37-38-48-50(47-6-3,41-27-39-49)40-26-24-22-20-18-16-14-12-10-8-5-2;11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h49H,4-41H2,1-3H3;11-12H,1-10H2.

What are the key properties of 3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?

3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 989.56 g/mol, XLogP of 10.54, 58 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 160625351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).