magnesium;2,2-dimethylpropanoic acid;hydride

C5H12MgO2 — CID 173170298

IUPACmagnesium;2,2-dimethylpropanoic acid;hydride
SMILESCC(C)(C)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H10O2.Mg.2H/c1-5(2,3)4(6)7;;;/h1-3H3,(H,6,7);;;/q;+2;2*-1
InChIKeySDYXFYHPBSZHQP-UHFFFAOYSA-N
MW128.45 g/mol
LogP0.96
Rot. Bonds

About magnesium;2,2-dimethylpropanoic acid;hydride

magnesium;2,2-dimethylpropanoic acid;hydride (PubChem CID 173170298) has the molecular formula C5H12MgO2 and a molecular weight of 128.45 g/mol. Its IUPAC name is magnesium;2,2-dimethylpropanoic acid;hydride.

Molecular Properties

Compound Namemagnesium;2,2-dimethylpropanoic acid;hydride
PubChem CID173170298
Molecular FormulaC5H12MgO2
Molecular Weight128.45 g/mol
Exact Mass128.07
IUPAC Namemagnesium;2,2-dimethylpropanoic acid;hydride
SMILESCC(C)(C)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H10O2.Mg.2H/c1-5(2,3)4(6)7;;;/h1-3H3,(H,6,7);;;/q;+2;2*-1
InChIKeySDYXFYHPBSZHQP-UHFFFAOYSA-N
XLogP0.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.45
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylpropanoic acid
CID 87781698
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
2,2-dimethylpropanoic acid;rhenium;chloride
CID 25015528
3,3-dimethylbutan-2-one;2,2-dimethylpropanoic acid
CID 162191705
3,3-dimethylbutan-2-one;2,2-dimethylpropanoic acid;methane
CID 159044795
2,2-dimethylpropanoic acid;prop-2-enoic acid
CID 88656753
sodium;ethane-1,1,1-tricarboxylic acid;hydride
CID 174341245
dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid
CID 175317557
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
magnesium;acetic acid;hydride
CID 172995175
henicosamagnesium;acetic acid;hydride
CID 173442224

Frequently Asked Questions

What is the IUPAC name of magnesium;2,2-dimethylpropanoic acid;hydride?
The IUPAC name of magnesium;2,2-dimethylpropanoic acid;hydride (CID 173170298) is magnesium;2,2-dimethylpropanoic acid;hydride.
What is the SMILES notation for magnesium;2,2-dimethylpropanoic acid;hydride?
The canonical SMILES for magnesium;2,2-dimethylpropanoic acid;hydride is CC(C)(C)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2,2-dimethylpropanoic acid;hydride?
The InChIKey is SDYXFYHPBSZHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.Mg.2H/c1-5(2,3)4(6)7;;;/h1-3H3,(H,6,7);;;/q;+2;2*-1.
What are the key properties of magnesium;2,2-dimethylpropanoic acid;hydride?
magnesium;2,2-dimethylpropanoic acid;hydride has a molecular weight of 128.45 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,2-dimethylpropanoic acid;hydride is sourced from PubChem (CID 173170298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).