sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate

C34H69NaO12S — CID 175684704

About sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate

sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate (PubChem CID 175684704) has the molecular formula C34H69NaO12S and a molecular weight of 724.97 g/mol. Its IUPAC name is sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate.

Molecular Properties

• Compound Name: sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate
• PubChem CID: 175684704
• Molecular Formula: C34H69NaO12S
• Molecular Weight: 724.97 g/mol
• Exact Mass: 724.44
• IUPAC Name: sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate
• SMILES: CCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOCCOS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C34H70O12S.Na/c1-8-9-10-11-12-13-14-15-16-17-18-39-23-29(2)41-25-31(4)43-27-33(6)45-28-34(7)44-26-32(5)42-24-30(3)40-21-19-38-20-22-46-47(35,36)37;/h29-34H,8-28H2,1-7H3,(H,35,36,37);/q;+1/p-1
• InChIKey: BDQJRLDWIDZFGP-UHFFFAOYSA-M
• XLogP: 2.85
• TPSA: 140.27 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 36
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.97
LogP ≤ 5	2.85
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': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate?

The IUPAC name of sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate (CID 175684704) is sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate.

What is the SMILES notation for sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate?

The canonical SMILES for sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate is CCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOCCOS(=O)(=O)[O-].[Na+].

What is the InChIKey of sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate?

The InChIKey is BDQJRLDWIDZFGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H70O12S.Na/c1-8-9-10-11-12-13-14-15-16-17-18-39-23-29(2)41-25-31(4)43-27-33(6)45-28-34(7)44-26-32(5)42-24-30(3)40-21-19-38-20-22-46-47(35,36)37;/h29-34H,8-28H2,1-7H3,(H,35,36,37);/q;+1/p-1.

What are the key properties of sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate?

sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate has a molecular weight of 724.97 g/mol, XLogP of 2.85, 36 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate is sourced from PubChem (CID 175684704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).