Linolenic acid

C₁₈H₃₀O₂ — CID 5280934

About Linolenic acid

Linolenic acid (PubChem CID 5280934) has the molecular formula C₁₈H₃₀O₂ and a molecular weight of 278.44 g/mol. Its IUPAC name is (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid.

Molecular Properties

• Compound Name: Linolenic acid
• PubChem CID: 5280934
• Molecular Formula: C₁₈H₃₀O₂
• Molecular Weight: 278.44 g/mol
• Exact Mass: 278.22
• IUPAC Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
• SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
• InChI: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
• InChIKey: DTOSIQBPPRVQHS-PDBXOOCHSA-N
• XLogP: 5.66
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 13
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	278.44
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

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 Linolenic acid?

The IUPAC name of Linolenic acid (CID 5280934) is (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid.

What is the SMILES notation for Linolenic acid?

The canonical SMILES for Linolenic acid is CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.

What is the InChIKey of Linolenic acid?

The InChIKey is DTOSIQBPPRVQHS-PDBXOOCHSA-N. The full InChI is InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-.

What are the key properties of Linolenic acid?

Linolenic acid has a molecular weight of 278.44 g/mol, XLogP of 5.66, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Linolenic acid is sourced from PubChem (CID 5280934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5280934 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4618 — approved-drug record (CC BY-SA 4.0)

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