3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal

C19H38O9S — CID 142541939

About 3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal

3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal (PubChem CID 142541939) has the molecular formula C19H38O9S and a molecular weight of 442.57 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
• PubChem CID: 142541939
• Molecular Formula: C19H38O9S
• Molecular Weight: 442.57 g/mol
• Exact Mass: 442.22
• IUPAC Name: 3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
• SMILES: O=CCCOCCOCCOCCOCCOCCOCCOCCOCCS
• InChI: InChI=1S/C19H38O9S/c20-2-1-3-21-4-5-22-6-7-23-8-9-24-10-11-25-12-13-26-14-15-27-16-17-28-18-19-29/h2,29H,1,3-19H2
• InChIKey: YEXIBGLKNKNLDM-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 90.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.57
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal?

The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal (CID 142541939) is 3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal.

What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal?

The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal is O=CCCOCCOCCOCCOCCOCCOCCOCCOCCS.

What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal?

The InChIKey is YEXIBGLKNKNLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O9S/c20-2-1-3-21-4-5-22-6-7-23-8-9-24-10-11-25-12-13-26-14-15-27-16-17-28-18-19-29/h2,29H,1,3-19H2.

What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal?

3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal has a molecular weight of 442.57 g/mol, XLogP of 0.64, 26 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal is sourced from PubChem (CID 142541939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).