magnesium butanoate

C8H14MgO4 — CID 6453218

IUPACmagnesium butanoate
SMILESCCCC(=O)[O-].CCCC(=O)[O-].[Mg+2]
InChIInChI=1S/2C4H8O2.Mg/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2
InChIKeyXGIJWNPXLLJTTB-UHFFFAOYSA-L
MW198.50 g/mol
LogP-1.31
Rot. Bonds4

About magnesium butanoate

magnesium butanoate (PubChem CID 6453218) has the molecular formula C8H14MgO4 and a molecular weight of 198.50 g/mol. Its IUPAC name is magnesium butanoate.

Molecular Properties

Compound Namemagnesium butanoate
PubChem CID6453218
Molecular FormulaC8H14MgO4
Molecular Weight198.50 g/mol
Exact Mass198.07
IUPAC Namemagnesium butanoate
SMILESCCCC(=O)[O-].CCCC(=O)[O-].[Mg+2]
InChIInChI=1S/2C4H8O2.Mg/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2
InChIKeyXGIJWNPXLLJTTB-UHFFFAOYSA-L
XLogP-1.31
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.50
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimagnesium;butanoate;propanoate
CID 19914218
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 magnesium butanoate?
The IUPAC name of magnesium butanoate (CID 6453218) is magnesium butanoate.
What is the SMILES notation for magnesium butanoate?
The canonical SMILES for magnesium butanoate is CCCC(=O)[O-].CCCC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium butanoate?
The InChIKey is XGIJWNPXLLJTTB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H8O2.Mg/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2.
What are the key properties of magnesium butanoate?
magnesium butanoate has a molecular weight of 198.50 g/mol, XLogP of -1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium butanoate is sourced from PubChem (CID 6453218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).