aluminum;magnesium;octadecanoate;sulfate

C18H35AlMgO6S+2 — CID 158620675

IUPACaluminum;magnesium;octadecanoate;sulfate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].O=S(=O)([O-])[O-].[Al+3].[Mg+2]
InChIInChI=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
InChIKeyHXYJXZWCFGMEHU-UHFFFAOYSA-K
MW430.83 g/mol
LogP2.90
Rot. Bonds16

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 Namealuminum;magnesium;octadecanoate;sulfate
PubChem CID158620675
Molecular FormulaC18H35AlMgO6S+2
Molecular Weight430.83 g/mol
Exact Mass430.18
IUPAC Namealuminum;magnesium;octadecanoate;sulfate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].O=S(=O)([O-])[O-].[Al+3].[Mg+2]
InChIInChI=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
InChIKeyHXYJXZWCFGMEHU-UHFFFAOYSA-K
XLogP2.90
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.83
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze aluminum;magnesium;octadecanoate;sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

aluminum;octadecanoate;sulfate;hydrate
CID 175403950
aluminum;sodium;zinc;octanoate;sulfate;dodecahydrate
CID 159393513
aluminum;lithium;tetrakis(octadecanoate)
CID 159733427
dimagnesium;tetrakis(octanoate)
CID 160745729
aluminum octanoate
CID 23176142
magnesium bis(undecanoate)
CID 87902169
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
aluminum tris(dodecanoate)
CID 18764696
silver octanoate
CID 15250566
dimagnesium bis(octadecanoate)
CID 19043233
trimagnesium;tris(octadecanoate)
CID 159626374

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).