ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid

C12H27O6PS2 — CID 135219440

About ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid

ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid (PubChem CID 135219440) has the molecular formula C12H27O6PS2 and a molecular weight of 362.45 g/mol. Its IUPAC name is ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid.

Molecular Properties

• Compound Name: ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid
• PubChem CID: 135219440
• Molecular Formula: C12H27O6PS2
• Molecular Weight: 362.45 g/mol
• Exact Mass: 362.10
• IUPAC Name: ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid
• SMILES: CCP(=O)(O)OCCOCCCSSCCCOCCO
• InChI: InChI=1S/C12H27O6PS2/c1-2-19(14,15)18-10-9-17-7-4-12-21-20-11-3-6-16-8-5-13/h13H,2-12H2,1H3,(H,14,15)
• InChIKey: PVLRSBDGMMXDFG-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 85.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.45
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid?

The IUPAC name of ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid (CID 135219440) is ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid.

What is the SMILES notation for ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid?

The canonical SMILES for ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid is CCP(=O)(O)OCCOCCCSSCCCOCCO.

What is the InChIKey of ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid?

The InChIKey is PVLRSBDGMMXDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O6PS2/c1-2-19(14,15)18-10-9-17-7-4-12-21-20-11-3-6-16-8-5-13/h13H,2-12H2,1H3,(H,14,15).

What are the key properties of ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid?

ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid has a molecular weight of 362.45 g/mol, XLogP of 2.40, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid is sourced from PubChem (CID 135219440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).