Sodium;hydride;2-methylpentanoyl undecanoate

C₁₇H₃₃NaO₃ — CID 174060534

About Sodium;hydride;2-methylpentanoyl undecanoate

Sodium;hydride;2-methylpentanoyl undecanoate (PubChem CID 174060534) has the molecular formula C₁₇H₃₃NaO₃ and a molecular weight of 308.44 g/mol. Its IUPAC name is sodium;hydride;2-methylpentanoyl undecanoate.

Molecular Properties

• Compound Name: Sodium;hydride;2-methylpentanoyl undecanoate
• PubChem CID: 174060534
• Molecular Formula: C₁₇H₃₃NaO₃
• Molecular Weight: 308.44 g/mol
• Exact Mass: 308.23
• IUPAC Name: sodium;hydride;2-methylpentanoyl undecanoate
• SMILES: CCCCCCCCCCC(=O)OC(=O)C(C)CCC.[H-].[Na+]
• InChI: InChI=1S/C17H32O3.Na.H/c1-4-6-7-8-9-10-11-12-14-16(18)20-17(19)15(3)13-5-2;;/h15H,4-14H2,1-3H3;;/q;+1;-1
• InChIKey: BAGBTKXCRODOFM-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.44
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Sodium;hydride;2-methylpentanoyl undecanoate?

The IUPAC name of Sodium;hydride;2-methylpentanoyl undecanoate (CID 174060534) is sodium;hydride;2-methylpentanoyl undecanoate.

What is the SMILES notation for Sodium;hydride;2-methylpentanoyl undecanoate?

The canonical SMILES for Sodium;hydride;2-methylpentanoyl undecanoate is CCCCCCCCCCC(=O)OC(=O)C(C)CCC.[H-].[Na+].

What is the InChIKey of Sodium;hydride;2-methylpentanoyl undecanoate?

The InChIKey is BAGBTKXCRODOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3.Na.H/c1-4-6-7-8-9-10-11-12-14-16(18)20-17(19)15(3)13-5-2;;/h15H,4-14H2,1-3H3;;/q;+1;-1.

What are the key properties of Sodium;hydride;2-methylpentanoyl undecanoate?

Sodium;hydride;2-methylpentanoyl undecanoate has a molecular weight of 308.44 g/mol, XLogP of 2.14, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Sodium;hydride;2-methylpentanoyl undecanoate is sourced from PubChem (CID 174060534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174060534 — identifiers, structure, computed properties (public domain)

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