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

C38H68K2O20S2 — CID 154628130

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

dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate (PubChem CID 154628130) has the molecular formula C38H68K2O20S2 and a molecular weight of 987.27 g/mol. Its IUPAC name is dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate.

Molecular Properties

• Compound Name: dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate
• PubChem CID: 154628130
• Molecular Formula: C38H68K2O20S2
• Molecular Weight: 987.27 g/mol
• Exact Mass: 986.30
• IUPAC Name: dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate
• SMILES: O=S(=O)([O-])CCCCOCCOCCOCCOCCOCCOCCOc1ccccc1OCCOCCOCCOCCOCCOCCOCCCCS(=O)(=O)[O-].[K+].[K+]
• InChI: InChI=1S/C38H70O20S2.2K/c39-59(40,41)35-5-3-9-45-11-13-47-15-17-49-19-21-51-23-25-53-27-29-55-31-33-57-37-7-1-2-8-38(37)58-34-32-56-30-28-54-26-24-52-22-20-50-18-16-48-14-12-46-10-4-6-36-60(42,43)44;;/h1-2,7-8H,3-6,9-36H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
• InChIKey: YIURKRSVWOHUNY-UHFFFAOYSA-L
• XLogP: -4.70
• TPSA: 243.62 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 48
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.27
LogP ≤ 5	-4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate?

The IUPAC name of dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate (CID 154628130) is dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]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-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate?

The canonical SMILES for dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate is O=S(=O)([O-])CCCCOCCOCCOCCOCCOCCOCCOc1ccccc1OCCOCCOCCOCCOCCOCCOCCCCS(=O)(=O)[O-].[K+].[K+].

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

The InChIKey is YIURKRSVWOHUNY-UHFFFAOYSA-L. The full InChI is InChI=1S/C38H70O20S2.2K/c39-59(40,41)35-5-3-9-45-11-13-47-15-17-49-19-21-51-23-25-53-27-29-55-31-33-57-37-7-1-2-8-38(37)58-34-32-56-30-28-54-26-24-52-22-20-50-18-16-48-14-12-46-10-4-6-36-60(42,43)44;;/h1-2,7-8H,3-6,9-36H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2.

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

dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate has a molecular weight of 987.27 g/mol, XLogP of -4.70, 48 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate is sourced from PubChem (CID 154628130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).