2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol

C20H42O11S — CID 178070711

About 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol (PubChem CID 178070711) has the molecular formula C20H42O11S and a molecular weight of 490.61 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol
• PubChem CID: 178070711
• Molecular Formula: C20H42O11S
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.24
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol
• SMILES: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)S
• InChI: InChI=1S/C20H42O11S/c21-1-2-23-3-4-24-5-6-25-7-8-26-9-10-27-11-12-28-13-14-29-15-16-30-17-18-31-19-20(22)32/h20-22,32H,1-19H2
• InChIKey: YTSTWWGXRXEVRQ-UHFFFAOYSA-N
• XLogP: -0.62
• TPSA: 123.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 28
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	-0.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol (CID 178070711) is 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol is OCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)S.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol?

The InChIKey is YTSTWWGXRXEVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O11S/c21-1-2-23-3-4-24-5-6-25-7-8-26-9-10-27-11-12-28-13-14-29-15-16-30-17-18-31-19-20(22)32/h20-22,32H,1-19H2.

What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol?

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol has a molecular weight of 490.61 g/mol, XLogP of -0.62, 28 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol is sourced from PubChem (CID 178070711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).