bis[2-(2-hydroxyethoxy)ethyl] sulfate

C8H18O8S — CID 139845365

About bis[2-(2-hydroxyethoxy)ethyl] sulfate

bis[2-(2-hydroxyethoxy)ethyl] sulfate (PubChem CID 139845365) has the molecular formula C8H18O8S and a molecular weight of 274.29 g/mol. Its IUPAC name is bis[2-(2-hydroxyethoxy)ethyl] sulfate.

Molecular Properties

• Compound Name: bis[2-(2-hydroxyethoxy)ethyl] sulfate
• PubChem CID: 139845365
• Molecular Formula: C8H18O8S
• Molecular Weight: 274.29 g/mol
• Exact Mass: 274.07
• IUPAC Name: bis[2-(2-hydroxyethoxy)ethyl] sulfate
• SMILES: O=S(=O)(OCCOCCO)OCCOCCO
• InChI: InChI=1S/C8H18O8S/c9-1-3-13-5-7-15-17(11,12)16-8-6-14-4-2-10/h9-10H,1-8H2
• InChIKey: ROTVVYOVBRZUGB-UHFFFAOYSA-N
• XLogP: -1.72
• TPSA: 111.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.29
LogP ≤ 5	-1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-hydroxyethoxy)ethyl] sulfate?

The IUPAC name of bis[2-(2-hydroxyethoxy)ethyl] sulfate (CID 139845365) is bis[2-(2-hydroxyethoxy)ethyl] sulfate.

What is the SMILES notation for bis[2-(2-hydroxyethoxy)ethyl] sulfate?

The canonical SMILES for bis[2-(2-hydroxyethoxy)ethyl] sulfate is O=S(=O)(OCCOCCO)OCCOCCO.

What is the InChIKey of bis[2-(2-hydroxyethoxy)ethyl] sulfate?

The InChIKey is ROTVVYOVBRZUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O8S/c9-1-3-13-5-7-15-17(11,12)16-8-6-14-4-2-10/h9-10H,1-8H2.

What are the key properties of bis[2-(2-hydroxyethoxy)ethyl] sulfate?

bis[2-(2-hydroxyethoxy)ethyl] sulfate has a molecular weight of 274.29 g/mol, XLogP of -1.72, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis[2-(2-hydroxyethoxy)ethyl] sulfate is sourced from PubChem (CID 139845365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).