dimagnesium;octadecanoate

C18H35Mg2O2+3 — CID 19105820

IUPACdimagnesium;octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2].[Mg+2]
InChIInChI=1S/C18H36O2.2Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2-17H2,1H3,(H,19,20);;/q;2*+2/p-1
InChIKeyDAGKTUWBOPZTHW-UHFFFAOYSA-M
MW332.09 g/mol
LogP4.24
Rot. Bonds16

About dimagnesium;octadecanoate

dimagnesium;octadecanoate (PubChem CID 19105820) has the molecular formula C18H35Mg2O2+3 and a molecular weight of 332.09 g/mol. Its IUPAC name is dimagnesium;octadecanoate.

Molecular Properties

Compound Namedimagnesium;octadecanoate
PubChem CID19105820
Molecular FormulaC18H35Mg2O2+3
Molecular Weight332.09 g/mol
Exact Mass331.23
IUPAC Namedimagnesium;octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2].[Mg+2]
InChIInChI=1S/C18H36O2.2Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2-17H2,1H3,(H,19,20);;/q;2*+2/p-1
InChIKeyDAGKTUWBOPZTHW-UHFFFAOYSA-M
XLogP4.24
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.09
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

magnesium bis(undecanoate)
CID 87902169
magnesium;docosanoate;octadecanoate
CID 158868243
dimagnesium bis(octadecanoate)
CID 19043233
dimagnesium;tetrakis(octanoate)
CID 160745729
trimagnesium;tris(octadecanoate)
CID 159626374
magnesium;cerium(3+);octadecanoate;oxygen(2-)
CID 160620488
magnesium;octanoate;chloride
CID 172837629
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890
octadecanoate
CID 3033836
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554

Frequently Asked Questions

What is the IUPAC name of dimagnesium;octadecanoate?
The IUPAC name of dimagnesium;octadecanoate (CID 19105820) is dimagnesium;octadecanoate.
What is the SMILES notation for dimagnesium;octadecanoate?
The canonical SMILES for dimagnesium;octadecanoate is CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;octadecanoate?
The InChIKey is DAGKTUWBOPZTHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36O2.2Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2-17H2,1H3,(H,19,20);;/q;2*+2/p-1.
What are the key properties of dimagnesium;octadecanoate?
dimagnesium;octadecanoate has a molecular weight of 332.09 g/mol, XLogP of 4.24, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;octadecanoate is sourced from PubChem (CID 19105820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).