dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[4-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate

C48H88K2O24S2 — CID 139335892

About dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[4-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate

dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[4-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate (PubChem CID 139335892) has the molecular formula C48H88K2O24S2 and a molecular weight of 1191.54 g/mol. Its IUPAC name is dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[4-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate.

Molecular Properties

• Compound Name: dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[4-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate
• PubChem CID: 139335892
• Molecular Formula: C48H88K2O24S2
• Molecular Weight: 1191.54 g/mol
• Exact Mass: 1190.44
• IUPAC Name: dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[4-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate
• SMILES: CCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCCCS(=O)(=O)[O-])cc1OCCOCCOCCOCCOCCOCCOCCOCCOCCCCS(=O)(=O)[O-].[K+].[K+]
• InChI: InChI=1S/C48H90O24S2.2K/c1-2-46-7-8-47(71-41-39-69-37-35-67-33-31-65-29-27-63-25-23-61-21-19-59-17-15-57-13-11-55-9-3-5-43-73(49,50)51)45-48(46)72-42-40-70-38-36-68-34-32-66-30-28-64-26-24-62-22-20-60-18-16-58-14-12-56-10-4-6-44-74(52,53)54;;/h7-8,45H,2-6,9-44H2,1H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2
• InChIKey: UGLROLGXVYLNHZ-UHFFFAOYSA-L
• XLogP: -4.07
• TPSA: 280.54 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 61
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1191.54
LogP ≤ 5	-4.07
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-[4-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate?

The IUPAC name of dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[4-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate (CID 139335892) is dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[4-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]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-[4-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate?

The canonical SMILES for dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[4-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate is CCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCCCS(=O)(=O)[O-])cc1OCCOCCOCCOCCOCCOCCOCCOCCOCCCCS(=O)(=O)[O-].[K+].[K+].

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

The InChIKey is UGLROLGXVYLNHZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C48H90O24S2.2K/c1-2-46-7-8-47(71-41-39-69-37-35-67-33-31-65-29-27-63-25-23-61-21-19-59-17-15-57-13-11-55-9-3-5-43-73(49,50)51)45-48(46)72-42-40-70-38-36-68-34-32-66-30-28-64-26-24-62-22-20-60-18-16-58-14-12-56-10-4-6-44-74(52,53)54;;/h7-8,45H,2-6,9-44H2,1H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2.

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

dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[4-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate has a molecular weight of 1191.54 g/mol, XLogP of -4.07, 61 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-[4-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate is sourced from PubChem (CID 139335892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).