Di(cyclooctyl)phosphinic acid

C₁₆H₃₁O₂P — CID 15243623

About Di(cyclooctyl)phosphinic acid

Di(cyclooctyl)phosphinic acid (PubChem CID 15243623) has the molecular formula C₁₆H₃₁O₂P and a molecular weight of 286.40 g/mol. Its IUPAC name is di(cyclooctyl)phosphinic acid.

Molecular Properties

• Compound Name: Di(cyclooctyl)phosphinic acid
• PubChem CID: 15243623
• Molecular Formula: C₁₆H₃₁O₂P
• Molecular Weight: 286.40 g/mol
• Exact Mass: 286.21
• IUPAC Name: di(cyclooctyl)phosphinic acid
• SMILES: O=P(O)(C1CCCCCCC1)C1CCCCCCC1
• InChI: InChI=1S/C16H31O2P/c17-19(18,15-11-7-3-1-4-8-12-15)16-13-9-5-2-6-10-14-16/h15-16H,1-14H2,(H,17,18)
• InChIKey: YXPIGSRHEMEENZ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	286.40
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Di(cyclooctyl)phosphinic acid?

The IUPAC name of Di(cyclooctyl)phosphinic acid (CID 15243623) is di(cyclooctyl)phosphinic acid.

What is the SMILES notation for Di(cyclooctyl)phosphinic acid?

The canonical SMILES for Di(cyclooctyl)phosphinic acid is O=P(O)(C1CCCCCCC1)C1CCCCCCC1.

What is the InChIKey of Di(cyclooctyl)phosphinic acid?

The InChIKey is YXPIGSRHEMEENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31O2P/c17-19(18,15-11-7-3-1-4-8-12-15)16-13-9-5-2-6-10-14-16/h15-16H,1-14H2,(H,17,18).

What are the key properties of Di(cyclooctyl)phosphinic acid?

Di(cyclooctyl)phosphinic acid has a molecular weight of 286.40 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Di(cyclooctyl)phosphinic acid is sourced from PubChem (CID 15243623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15243623 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.