Docosanoic acid

C₂₂H₄₄O₂ — CID 8215

About Docosanoic acid

Docosanoic acid (PubChem CID 8215) has the molecular formula C₂₂H₄₄O₂ and a molecular weight of 340.59 g/mol. Its IUPAC name is docosanoic acid.

Molecular Properties

• Compound Name: Docosanoic acid
• PubChem CID: 8215
• Molecular Formula: C₂₂H₄₄O₂
• Molecular Weight: 340.59 g/mol
• Exact Mass: 340.33
• IUPAC Name: docosanoic acid
• SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
• InChIKey: UKMSUNONTOPOIO-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 20
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	340.59
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Docosanoic acid?

The IUPAC name of Docosanoic acid (CID 8215) is docosanoic acid.

What is the SMILES notation for Docosanoic acid?

The canonical SMILES for Docosanoic acid is CCCCCCCCCCCCCCCCCCCCCC(=O)O.

What is the InChIKey of Docosanoic acid?

The InChIKey is UKMSUNONTOPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24).

What are the key properties of Docosanoic acid?

Docosanoic acid has a molecular weight of 340.59 g/mol, XLogP of 7.89, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Docosanoic acid is sourced from PubChem (CID 8215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8215 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3855 — approved-drug record (CC BY-SA 4.0)

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