magnesium;zinc;propanoate

C12H20MgO8Zn — CID 22462046

IUPACmagnesium;zinc;propanoate
SMILESCCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Mg+2].[Zn+2]
InChIInChI=1S/4C3H6O2.Mg.Zn/c4*1-2-3(4)5;;/h4*2H2,1H3,(H,4,5);;/q;;;;2*+2/p-4
InChIKeyMTIPHNIYPGHZJV-UHFFFAOYSA-J
MW381.98 g/mol
LogP-3.80
Rot. Bonds4

About magnesium;zinc;propanoate

magnesium;zinc;propanoate (PubChem CID 22462046) has the molecular formula C12H20MgO8Zn and a molecular weight of 381.98 g/mol. Its IUPAC name is magnesium;zinc;propanoate.

Molecular Properties

Compound Namemagnesium;zinc;propanoate
PubChem CID22462046
Molecular FormulaC12H20MgO8Zn
Molecular Weight381.98 g/mol
Exact Mass380.03
IUPAC Namemagnesium;zinc;propanoate
SMILESCCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Mg+2].[Zn+2]
InChIInChI=1S/4C3H6O2.Mg.Zn/c4*1-2-3(4)5;;/h4*2H2,1H3,(H,4,5);;/q;;;;2*+2/p-4
InChIKeyMTIPHNIYPGHZJV-UHFFFAOYSA-J
XLogP-3.80
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.98
LogP ≤ 5-3.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of magnesium;zinc;propanoate?
The IUPAC name of magnesium;zinc;propanoate (CID 22462046) is magnesium;zinc;propanoate.
What is the SMILES notation for magnesium;zinc;propanoate?
The canonical SMILES for magnesium;zinc;propanoate is CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Mg+2].[Zn+2].
What is the InChIKey of magnesium;zinc;propanoate?
The InChIKey is MTIPHNIYPGHZJV-UHFFFAOYSA-J. The full InChI is InChI=1S/4C3H6O2.Mg.Zn/c4*1-2-3(4)5;;/h4*2H2,1H3,(H,4,5);;/q;;;;2*+2/p-4.
What are the key properties of magnesium;zinc;propanoate?
magnesium;zinc;propanoate has a molecular weight of 381.98 g/mol, XLogP of -3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;zinc;propanoate is sourced from PubChem (CID 22462046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).