dimagnesium;butanoate;propanoate

C7H12Mg2O4+2 — CID 19914218

IUPACdimagnesium;butanoate;propanoate
SMILESCCC(=O)[O-].CCCC(=O)[O-].[Mg+2].[Mg+2]
InChIInChI=1S/C4H8O2.C3H6O2.2Mg/c1-2-3-4(5)6;1-2-3(4)5;;/h2-3H2,1H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;2*+2/p-2
InChIKeyAULJYAWMNMFJDV-UHFFFAOYSA-L
MW208.78 g/mol
LogP-2.08
Rot. Bonds3

About dimagnesium;butanoate;propanoate

dimagnesium;butanoate;propanoate (PubChem CID 19914218) has the molecular formula C7H12Mg2O4+2 and a molecular weight of 208.78 g/mol. Its IUPAC name is dimagnesium;butanoate;propanoate.

Molecular Properties

Compound Namedimagnesium;butanoate;propanoate
PubChem CID19914218
Molecular FormulaC7H12Mg2O4+2
Molecular Weight208.78 g/mol
Exact Mass208.04
IUPAC Namedimagnesium;butanoate;propanoate
SMILESCCC(=O)[O-].CCCC(=O)[O-].[Mg+2].[Mg+2]
InChIInChI=1S/C4H8O2.C3H6O2.2Mg/c1-2-3-4(5)6;1-2-3(4)5;;/h2-3H2,1H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;2*+2/p-2
InChIKeyAULJYAWMNMFJDV-UHFFFAOYSA-L
XLogP-2.08
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.78
LogP ≤ 5-2.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

magnesium butanoate
CID 6453218
silver butanoate
CID 14944495
tetrapotassium;butanoate
CID 140982885
strontium butanoate
CID 19035288
butanoate;bis(rhodium(3+))
CID 173415846
butanoate;ytterbium(2+)
CID 88777454
potassium butanoate
CID 23677461
butanoate;tin(4+)
CID 159447903
butanoate;carbanide;chromium(3+)
CID 158360920
butanoate;titanium(4+);acetate
CID 159866524
disodium;butanoate;hydroxide
CID 173219323
butanoate;silicon(4+);titanium(4+)
CID 158800899

Frequently Asked Questions

What is the IUPAC name of dimagnesium;butanoate;propanoate?
The IUPAC name of dimagnesium;butanoate;propanoate (CID 19914218) is dimagnesium;butanoate;propanoate.
What is the SMILES notation for dimagnesium;butanoate;propanoate?
The canonical SMILES for dimagnesium;butanoate;propanoate is CCC(=O)[O-].CCCC(=O)[O-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;butanoate;propanoate?
The InChIKey is AULJYAWMNMFJDV-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8O2.C3H6O2.2Mg/c1-2-3-4(5)6;1-2-3(4)5;;/h2-3H2,1H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;2*+2/p-2.
What are the key properties of dimagnesium;butanoate;propanoate?
dimagnesium;butanoate;propanoate has a molecular weight of 208.78 g/mol, XLogP of -2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;butanoate;propanoate is sourced from PubChem (CID 19914218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).