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

C29H64O7SSi — CID 158082821

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

3-(ethoxy-methyl-tridecylsilyl)propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 158082821) has the molecular formula C29H64O7SSi and a molecular weight of 584.98 g/mol. Its IUPAC name is 3-(ethoxy-methyl-tridecylsilyl)propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 3-(ethoxy-methyl-tridecylsilyl)propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 158082821
• Molecular Formula: C29H64O7SSi
• Molecular Weight: 584.98 g/mol
• Exact Mass: 584.41
• IUPAC Name: 3-(ethoxy-methyl-tridecylsilyl)propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CCCCCCCCCCCCC[Si](C)(CCCS)OCC.OCCOCCOCCOCCOCCO
• InChI: InChI=1S/C19H42OSSi.C10H22O6/c1-4-6-7-8-9-10-11-12-13-14-15-18-22(3,20-5-2)19-16-17-21;11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h21H,4-19H2,1-3H3;11-12H,1-10H2
• InChIKey: FNDVKOVBRUWZAQ-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 86.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 30
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.98
LogP ≤ 5	6.27
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-(ethoxy-methyl-tridecylsilyl)propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (CID 158082821) is 3-(ethoxy-methyl-tridecylsilyl)propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.

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

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

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

The InChIKey is FNDVKOVBRUWZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42OSSi.C10H22O6/c1-4-6-7-8-9-10-11-12-13-14-15-18-22(3,20-5-2)19-16-17-21;11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h21H,4-19H2,1-3H3;11-12H,1-10H2.

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

3-(ethoxy-methyl-tridecylsilyl)propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 584.98 g/mol, XLogP of 6.27, 30 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(ethoxy-methyl-tridecylsilyl)propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 158082821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).