Aluminum;magnesium;octadecanoate;sulfate

C₁₈H₃₅AlMgO₆S+2 — CID 158620675

About Aluminum;magnesium;octadecanoate;sulfate

Aluminum;magnesium;octadecanoate;sulfate (PubChem CID 158620675) has the molecular formula C₁₈H₃₅AlMgO₆S+2 and a molecular weight of 430.83 g/mol. Its IUPAC name is aluminum;magnesium;octadecanoate;sulfate.

Molecular Properties

• Compound Name: Aluminum;magnesium;octadecanoate;sulfate
• PubChem CID: 158620675
• Molecular Formula: C₁₈H₃₅AlMgO₆S+2
• Molecular Weight: 430.83 g/mol
• Exact Mass: 430.18
• IUPAC Name: aluminum;magnesium;octadecanoate;sulfate
• SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].O=S(=O)([O-])[O-].[Al+3].[Mg+2]
• InChI: InChI=1S/C18H36O2.Al.Mg.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;1-5(2,3)4/h2-17H2,1H3,(H,19,20);;;(H2,1,2,3,4)/q;+3;+2;/p-3
• InChIKey: HXYJXZWCFGMEHU-UHFFFAOYSA-K
• XLogP: 2.90
• TPSA: 120.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.83
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Aluminum;magnesium;octadecanoate;sulfate?

The IUPAC name of Aluminum;magnesium;octadecanoate;sulfate (CID 158620675) is aluminum;magnesium;octadecanoate;sulfate.

What is the SMILES notation for Aluminum;magnesium;octadecanoate;sulfate?

The canonical SMILES for Aluminum;magnesium;octadecanoate;sulfate is CCCCCCCCCCCCCCCCCC(=O)[O-].O=S(=O)([O-])[O-].[Al+3].[Mg+2].

What is the InChIKey of Aluminum;magnesium;octadecanoate;sulfate?

The InChIKey is HXYJXZWCFGMEHU-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H36O2.Al.Mg.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;1-5(2,3)4/h2-17H2,1H3,(H,19,20);;;(H2,1,2,3,4)/q;+3;+2;/p-3.

What are the key properties of Aluminum;magnesium;octadecanoate;sulfate?

Aluminum;magnesium;octadecanoate;sulfate has a molecular weight of 430.83 g/mol, XLogP of 2.90, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Aluminum;magnesium;octadecanoate;sulfate is sourced from PubChem (CID 158620675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158620675 — identifiers, structure, computed properties (public domain)

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