dimagnesium bis(octadecanoate)

C36H70Mg2O4+2 — CID 19043233

IUPACdimagnesium bis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2].[Mg+2]
InChIInChI=1S/2C18H36O2.2Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;2*+2/p-2
InChIKeyVZMQWZVOXMCQKY-UHFFFAOYSA-L
MW615.56 g/mol
LogP9.23
Rot. Bonds32

About dimagnesium bis(octadecanoate)

dimagnesium bis(octadecanoate) (PubChem CID 19043233) has the molecular formula C36H70Mg2O4+2 and a molecular weight of 615.56 g/mol. Its IUPAC name is dimagnesium bis(octadecanoate).

Molecular Properties

Compound Namedimagnesium bis(octadecanoate)
PubChem CID19043233
Molecular FormulaC36H70Mg2O4+2
Molecular Weight615.56 g/mol
Exact Mass614.50
IUPAC Namedimagnesium bis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2].[Mg+2]
InChIInChI=1S/2C18H36O2.2Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;2*+2/p-2
InChIKeyVZMQWZVOXMCQKY-UHFFFAOYSA-L
XLogP9.23
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.56
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

magnesium bis(undecanoate)
CID 87902169
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
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 bis(octadecanoate)?
The IUPAC name of dimagnesium bis(octadecanoate) (CID 19043233) is dimagnesium bis(octadecanoate).
What is the SMILES notation for dimagnesium bis(octadecanoate)?
The canonical SMILES for dimagnesium bis(octadecanoate) is CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium bis(octadecanoate)?
The InChIKey is VZMQWZVOXMCQKY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H36O2.2Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;2*+2/p-2.
What are the key properties of dimagnesium bis(octadecanoate)?
dimagnesium bis(octadecanoate) has a molecular weight of 615.56 g/mol, XLogP of 9.23, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium bis(octadecanoate) is sourced from PubChem (CID 19043233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).