Cesium tetracosanoate

C₂₄H₄₇CsO₂ — CID 140771917

About Cesium tetracosanoate

Cesium tetracosanoate (PubChem CID 140771917) has the molecular formula C₂₄H₄₇CsO₂ and a molecular weight of 500.54 g/mol. Its IUPAC name is cesium tetracosanoate.

Molecular Properties

• Compound Name: Cesium tetracosanoate
• PubChem CID: 140771917
• Molecular Formula: C₂₄H₄₇CsO₂
• Molecular Weight: 500.54 g/mol
• Exact Mass: 500.26
• IUPAC Name: cesium tetracosanoate
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Cs+]
• InChI: InChI=1S/C24H48O2.Cs/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h2-23H2,1H3,(H,25,26);/q;+1/p-1
• InChIKey: NQZMJOFCNRCICS-UHFFFAOYSA-M
• XLogP: 4.34
• TPSA: 40.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 22
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.54
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Cesium tetracosanoate?

The IUPAC name of Cesium tetracosanoate (CID 140771917) is cesium tetracosanoate.

What is the SMILES notation for Cesium tetracosanoate?

The canonical SMILES for Cesium tetracosanoate is CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Cs+].

What is the InChIKey of Cesium tetracosanoate?

The InChIKey is NQZMJOFCNRCICS-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H48O2.Cs/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h2-23H2,1H3,(H,25,26);/q;+1/p-1.

What are the key properties of Cesium tetracosanoate?

Cesium tetracosanoate has a molecular weight of 500.54 g/mol, XLogP of 4.34, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Cesium tetracosanoate is sourced from PubChem (CID 140771917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140771917 — identifiers, structure, computed properties (public domain)

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