sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite

C42H77NaO12S — CID 175685404

About sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite

sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite (PubChem CID 175685404) has the molecular formula C42H77NaO12S and a molecular weight of 829.12 g/mol. Its IUPAC name is sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite.

Molecular Properties

• Compound Name: sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite
• PubChem CID: 175685404
• Molecular Formula: C42H77NaO12S
• Molecular Weight: 829.12 g/mol
• Exact Mass: 828.50
• IUPAC Name: sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite
• SMILES: CCCCCCCCCc1ccc(OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OS(=O)[O-])cc1.[Na+]
• InChI: InChI=1S/C42H78O12S.Na/c1-11-12-13-14-15-16-17-18-41-19-21-42(22-20-41)53-30-39(9)51-28-37(7)49-26-35(5)47-24-33(3)45-23-32(2)46-25-34(4)48-27-36(6)50-29-38(8)52-31-40(10)54-55(43)44;/h19-22,32-40H,11-18,23-31H2,1-10H3,(H,43,44);/q;+1/p-1
• InChIKey: LUENWSNNOSVXJQ-UHFFFAOYSA-M
• XLogP: 4.80
• TPSA: 132.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 37
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.12
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite?

The IUPAC name of sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite (CID 175685404) is sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite.

What is the SMILES notation for sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite?

The canonical SMILES for sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite is CCCCCCCCCc1ccc(OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OS(=O)[O-])cc1.[Na+].

What is the InChIKey of sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite?

The InChIKey is LUENWSNNOSVXJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C42H78O12S.Na/c1-11-12-13-14-15-16-17-18-41-19-21-42(22-20-41)53-30-39(9)51-28-37(7)49-26-35(5)47-24-33(3)45-23-32(2)46-25-34(4)48-27-36(6)50-29-38(8)52-31-40(10)54-55(43)44;/h19-22,32-40H,11-18,23-31H2,1-10H3,(H,43,44);/q;+1/p-1.

What are the key properties of sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite?

sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite has a molecular weight of 829.12 g/mol, XLogP of 4.80, 37 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium 1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl sulfite is sourced from PubChem (CID 175685404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).