Disodium;hexadecanoic acid;hydride;hydrate

C₁₆H₃₆Na₂O₃ — CID 174056425

About Disodium;hexadecanoic acid;hydride;hydrate

Disodium;hexadecanoic acid;hydride;hydrate (PubChem CID 174056425) has the molecular formula C₁₆H₃₆Na₂O₃ and a molecular weight of 322.44 g/mol. Its IUPAC name is disodium;hexadecanoic acid;hydride;hydrate.

Molecular Properties

• Compound Name: Disodium;hexadecanoic acid;hydride;hydrate
• PubChem CID: 174056425
• Molecular Formula: C₁₆H₃₆Na₂O₃
• Molecular Weight: 322.44 g/mol
• Exact Mass: 322.25
• IUPAC Name: disodium;hexadecanoic acid;hydride;hydrate
• SMILES: CCCCCCCCCCCCCCCC(=O)O.O.[H-].[H-].[Na+].[Na+]
• InChI: InChI=1S/C16H32O2.2Na.H2O.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;;;/h2-15H2,1H3,(H,17,18);;;1H2;;/q;2*+1;;2*-1
• InChIKey: UTOSTLBASAHSPO-UHFFFAOYSA-N
• XLogP: -1.04
• TPSA: 68.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 14
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.44
LogP ≤ 5	-1.04
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 Disodium;hexadecanoic acid;hydride;hydrate?

The IUPAC name of Disodium;hexadecanoic acid;hydride;hydrate (CID 174056425) is disodium;hexadecanoic acid;hydride;hydrate.

What is the SMILES notation for Disodium;hexadecanoic acid;hydride;hydrate?

The canonical SMILES for Disodium;hexadecanoic acid;hydride;hydrate is CCCCCCCCCCCCCCCC(=O)O.O.[H-].[H-].[Na+].[Na+].

What is the InChIKey of Disodium;hexadecanoic acid;hydride;hydrate?

The InChIKey is UTOSTLBASAHSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.2Na.H2O.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;;;/h2-15H2,1H3,(H,17,18);;;1H2;;/q;2*+1;;2*-1.

What are the key properties of Disodium;hexadecanoic acid;hydride;hydrate?

Disodium;hexadecanoic acid;hydride;hydrate has a molecular weight of 322.44 g/mol, XLogP of -1.04, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Disodium;hexadecanoic acid;hydride;hydrate is sourced from PubChem (CID 174056425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174056425 — identifiers, structure, computed properties (public domain)

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