magnesium;hydride;3-methyl-2-oxobutanoic acid

C5H10MgO3 — CID 174910214

IUPACmagnesium;hydride;3-methyl-2-oxobutanoic acid
SMILESCC(C)C(=O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H8O3.Mg.2H/c1-3(2)4(6)5(7)8;;;/h3H,1-2H3,(H,7,8);;;/q;+2;2*-1
InChIKeySZSSNGSUNPTSHY-UHFFFAOYSA-N
MW142.44 g/mol
LogP0.14
Rot. Bonds2

About magnesium;hydride;3-methyl-2-oxobutanoic acid

magnesium;hydride;3-methyl-2-oxobutanoic acid (PubChem CID 174910214) has the molecular formula C5H10MgO3 and a molecular weight of 142.44 g/mol. Its IUPAC name is magnesium;hydride;3-methyl-2-oxobutanoic acid.

Molecular Properties

Compound Namemagnesium;hydride;3-methyl-2-oxobutanoic acid
PubChem CID174910214
Molecular FormulaC5H10MgO3
Molecular Weight142.44 g/mol
Exact Mass142.05
IUPAC Namemagnesium;hydride;3-methyl-2-oxobutanoic acid
SMILESCC(C)C(=O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H8O3.Mg.2H/c1-3(2)4(6)5(7)8;;;/h3H,1-2H3,(H,7,8);;;/q;+2;2*-1
InChIKeySZSSNGSUNPTSHY-UHFFFAOYSA-N
XLogP0.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.44
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2,4-dioxopentanedioic acid
CID 19100434
2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid
CID 159572684
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
3-amino-2-oxobutanoic acid
CID 19011254
2-methylpropanoic acid
CID 173073412
(2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid
CID 14406339
azane;2-methylpropanoic acid;hydrate
CID 161320294
CID 161404788
CID 161404788
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;3-methyl-2-oxobutanoic acid?
The IUPAC name of magnesium;hydride;3-methyl-2-oxobutanoic acid (CID 174910214) is magnesium;hydride;3-methyl-2-oxobutanoic acid.
What is the SMILES notation for magnesium;hydride;3-methyl-2-oxobutanoic acid?
The canonical SMILES for magnesium;hydride;3-methyl-2-oxobutanoic acid is CC(C)C(=O)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;3-methyl-2-oxobutanoic acid?
The InChIKey is SZSSNGSUNPTSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.Mg.2H/c1-3(2)4(6)5(7)8;;;/h3H,1-2H3,(H,7,8);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;3-methyl-2-oxobutanoic acid?
magnesium;hydride;3-methyl-2-oxobutanoic acid has a molecular weight of 142.44 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;3-methyl-2-oxobutanoic acid is sourced from PubChem (CID 174910214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).