dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate

C50H86K2O24S2 — CID 139335916

About dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate

dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate (PubChem CID 139335916) has the molecular formula C50H86K2O24S2 and a molecular weight of 1213.54 g/mol. Its IUPAC name is dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate.

Molecular Properties

• Compound Name: dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate
• PubChem CID: 139335916
• Molecular Formula: C50H86K2O24S2
• Molecular Weight: 1213.54 g/mol
• Exact Mass: 1212.42
• IUPAC Name: dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate
• SMILES: O=S(=O)([O-])CCCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc2ccccc2cc1OCCOCCOCCOCCOCCOCCOCCOCCOCCCCS(=O)(=O)[O-].[K+].[K+]
• InChI: InChI=1S/C50H88O24S2.2K/c51-75(52,53)43-5-3-9-57-11-13-59-15-17-61-19-21-63-23-25-65-27-29-67-31-33-69-35-37-71-39-41-73-49-45-47-7-1-2-8-48(47)46-50(49)74-42-40-72-38-36-70-34-32-68-30-28-66-26-24-64-22-20-62-18-16-60-14-12-58-10-4-6-44-76(54,55)56;;/h1-2,7-8,45-46H,3-6,9-44H2,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2
• InChIKey: HWMVZHYOVNQAHU-UHFFFAOYSA-L
• XLogP: -3.48
• TPSA: 280.54 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 60
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1213.54
LogP ≤ 5	-3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate?

The IUPAC name of dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate (CID 139335916) is dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate.

What is the SMILES notation for dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate?

The canonical SMILES for dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate is O=S(=O)([O-])CCCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc2ccccc2cc1OCCOCCOCCOCCOCCOCCOCCOCCOCCCCS(=O)(=O)[O-].[K+].[K+].

What is the InChIKey of dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate?

The InChIKey is HWMVZHYOVNQAHU-UHFFFAOYSA-L. The full InChI is InChI=1S/C50H88O24S2.2K/c51-75(52,53)43-5-3-9-57-11-13-59-15-17-61-19-21-63-23-25-65-27-29-67-31-33-69-35-37-71-39-41-73-49-45-47-7-1-2-8-48(47)46-50(49)74-42-40-72-38-36-70-34-32-68-30-28-66-26-24-64-22-20-62-18-16-60-14-12-58-10-4-6-44-76(54,55)56;;/h1-2,7-8,45-46H,3-6,9-44H2,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2.

What are the key properties of dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate?

dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate has a molecular weight of 1213.54 g/mol, XLogP of -3.48, 60 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate is sourced from PubChem (CID 139335916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).