magnesium bis(2-methylpentanoate)

C12H22MgO4 — CID 140813982

IUPACmagnesium bis(2-methylpentanoate)
SMILESCCCC(C)C(=O)[O-].CCCC(C)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C6H12O2.Mg/c2*1-3-4-5(2)6(7)8;/h2*5H,3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
InChIKeyXUIVSVUGZRGQLA-UHFFFAOYSA-L
MW254.61 g/mol
LogP-0.04
Rot. Bonds6

About magnesium bis(2-methylpentanoate)

magnesium bis(2-methylpentanoate) (PubChem CID 140813982) has the molecular formula C12H22MgO4 and a molecular weight of 254.61 g/mol. Its IUPAC name is magnesium bis(2-methylpentanoate).

Molecular Properties

Compound Namemagnesium bis(2-methylpentanoate)
PubChem CID140813982
Molecular FormulaC12H22MgO4
Molecular Weight254.61 g/mol
Exact Mass254.14
IUPAC Namemagnesium bis(2-methylpentanoate)
SMILESCCCC(C)C(=O)[O-].CCCC(C)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C6H12O2.Mg/c2*1-3-4-5(2)6(7)8;/h2*5H,3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
InChIKeyXUIVSVUGZRGQLA-UHFFFAOYSA-L
XLogP-0.04
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.61
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze magnesium bis(2-methylpentanoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium 2-methylpentanoate
CID 122554466
(2R)-2-methylhexanoate
CID 6999857
magnesium bis(2-methylnonanoate)
CID 175226104
(6S)-4,6-dimethylnonan-5-one
CID 177467625
copper bis(2-methylhexanoate)
CID 19768945
magnesium bis(2-methylbutanoate)
CID 88739715
magnesium bis(2-propylpentanoate)
CID 13327120
2-methylbutanoate
CID 91073357
(2R)-4-azaniumyl-2-methylbutanoate
CID 6954860
sodium 4-hydroxy-2-methylbutanoate
CID 23695196
cobalt(2+);bis((2R)-2-methylbutanoate)
CID 90199434
bis(2-methylbutanoate);niobium(2+)
CID 18939928

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-methylpentanoate)?
The IUPAC name of magnesium bis(2-methylpentanoate) (CID 140813982) is magnesium bis(2-methylpentanoate).
What is the SMILES notation for magnesium bis(2-methylpentanoate)?
The canonical SMILES for magnesium bis(2-methylpentanoate) is CCCC(C)C(=O)[O-].CCCC(C)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(2-methylpentanoate)?
The InChIKey is XUIVSVUGZRGQLA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H12O2.Mg/c2*1-3-4-5(2)6(7)8;/h2*5H,3-4H2,1-2H3,(H,7,8);/q;;+2/p-2.
What are the key properties of magnesium bis(2-methylpentanoate)?
magnesium bis(2-methylpentanoate) has a molecular weight of 254.61 g/mol, XLogP of -0.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-methylpentanoate) is sourced from PubChem (CID 140813982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).