Ricinoleic acid

C₁₈H₃₄O₃ — CID 643684

About Ricinoleic acid

Ricinoleic acid (PubChem CID 643684) has the molecular formula C₁₈H₃₄O₃ and a molecular weight of 298.47 g/mol. Its IUPAC name is (Z,12R)-12-hydroxyoctadec-9-enoic acid.

Molecular Properties

• Compound Name: Ricinoleic acid
• PubChem CID: 643684
• Molecular Formula: C₁₈H₃₄O₃
• Molecular Weight: 298.47 g/mol
• Exact Mass: 298.25
• IUPAC Name: (Z,12R)-12-hydroxyoctadec-9-enoic acid
• SMILES: CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O
• InChI: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1
• InChIKey: WBHHMMIMDMUBKC-QJWNTBNXSA-N
• XLogP: 5.08
• TPSA: 57.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	298.47
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ricinoleic acid?

The IUPAC name of Ricinoleic acid (CID 643684) is (Z,12R)-12-hydroxyoctadec-9-enoic acid.

What is the SMILES notation for Ricinoleic acid?

The canonical SMILES for Ricinoleic acid is CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O.

What is the InChIKey of Ricinoleic acid?

The InChIKey is WBHHMMIMDMUBKC-QJWNTBNXSA-N. The full InChI is InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1.

What are the key properties of Ricinoleic acid?

Ricinoleic acid has a molecular weight of 298.47 g/mol, XLogP of 5.08, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ricinoleic acid is sourced from PubChem (CID 643684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 643684 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3527 — approved-drug record (CC BY-SA 4.0)

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