dipotassium;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate

C24H40K2O14S2 — CID 154628159

About dipotassium;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate

dipotassium;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate (PubChem CID 154628159) has the molecular formula C24H40K2O14S2 and a molecular weight of 694.90 g/mol. Its IUPAC name is dipotassium;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate.

Molecular Properties

• Compound Name: dipotassium;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate
• PubChem CID: 154628159
• Molecular Formula: C24H40K2O14S2
• Molecular Weight: 694.90 g/mol
• Exact Mass: 694.11
• IUPAC Name: dipotassium;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate
• SMILES: O=S(=O)([O-])CCCOCCOCCOCCOc1ccccc1OCCOCCOCCOCCCS(=O)(=O)[O-].[K+].[K+]
• InChI: InChI=1S/C24H42O14S2.2K/c25-39(26,27)21-3-7-31-9-11-33-13-15-35-17-19-37-23-5-1-2-6-24(23)38-20-18-36-16-14-34-12-10-32-8-4-22-40(28,29)30;;/h1-2,5-6H,3-4,7-22H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2
• InChIKey: CLWCFMBCWLDWDW-UHFFFAOYSA-L
• XLogP: -5.58
• TPSA: 188.24 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 28
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.90
LogP ≤ 5	-5.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate?

The IUPAC name of dipotassium;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate (CID 154628159) is dipotassium;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate.

What is the SMILES notation for dipotassium;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate?

The canonical SMILES for dipotassium;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate is O=S(=O)([O-])CCCOCCOCCOCCOc1ccccc1OCCOCCOCCOCCCS(=O)(=O)[O-].[K+].[K+].

What is the InChIKey of dipotassium;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate?

The InChIKey is CLWCFMBCWLDWDW-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H42O14S2.2K/c25-39(26,27)21-3-7-31-9-11-33-13-15-35-17-19-37-23-5-1-2-6-24(23)38-20-18-36-16-14-34-12-10-32-8-4-22-40(28,29)30;;/h1-2,5-6H,3-4,7-22H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2.

What are the key properties of dipotassium;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate?

dipotassium;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate has a molecular weight of 694.90 g/mol, XLogP of -5.58, 28 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;3-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate is sourced from PubChem (CID 154628159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).