magnesium;2,2-diethylpropanedioic acid;hydride

C7H14MgO4 — CID 173359738

IUPACmagnesium;2,2-diethylpropanedioic acid;hydride
SMILESCCC(CC)(C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H12O4.Mg.2H/c1-3-7(4-2,5(8)9)6(10)11;;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);;;/q;+2;2*-1
InChIKeyDCTNSRYWBZOTHL-UHFFFAOYSA-N
MW186.49 g/mol
LogP0.81
Rot. Bonds4

About magnesium;2,2-diethylpropanedioic acid;hydride

magnesium;2,2-diethylpropanedioic acid;hydride (PubChem CID 173359738) has the molecular formula C7H14MgO4 and a molecular weight of 186.49 g/mol. Its IUPAC name is magnesium;2,2-diethylpropanedioic acid;hydride.

Molecular Properties

Compound Namemagnesium;2,2-diethylpropanedioic acid;hydride
PubChem CID173359738
Molecular FormulaC7H14MgO4
Molecular Weight186.49 g/mol
Exact Mass186.07
IUPAC Namemagnesium;2,2-diethylpropanedioic acid;hydride
SMILESCCC(CC)(C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H12O4.Mg.2H/c1-3-7(4-2,5(8)9)6(10)11;;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);;;/q;+2;2*-1
InChIKeyDCTNSRYWBZOTHL-UHFFFAOYSA-N
XLogP0.81
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.49
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

magnesium;2,2-dipropylpropanedioic acid;hydride
CID 174967790
2,2-diethyl-4,4-dimethyl-3-oxopentanoic acid
CID 58961056
magnesium;2-decyl-2-dodecylpropanedioic acid;hydride
CID 174968666
1-methylpentane-1,3,3-tricarboxylic acid
CID 23423170
lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride
CID 174967849
2,2,3,3-tetraethylbutanedioic acid
CID 23424098
2-ethyl-2-nitrooxycarbonylbutanoic acid
CID 54512485
calcium;2-dodecyl-2-heptylpropanedioic acid;hydride
CID 174968518
2-ethyl-2-(3-methylpentan-2-yloxycarbonyl)butanoic acid
CID 57151301
2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid
CID 59323519
magnesium;2,2-dimethylpropanoic acid;hydride
CID 173170298
azane;2,2-diethylbutanoic acid
CID 173369262

Frequently Asked Questions

What is the IUPAC name of magnesium;2,2-diethylpropanedioic acid;hydride?
The IUPAC name of magnesium;2,2-diethylpropanedioic acid;hydride (CID 173359738) is magnesium;2,2-diethylpropanedioic acid;hydride.
What is the SMILES notation for magnesium;2,2-diethylpropanedioic acid;hydride?
The canonical SMILES for magnesium;2,2-diethylpropanedioic acid;hydride is CCC(CC)(C(=O)O)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2,2-diethylpropanedioic acid;hydride?
The InChIKey is DCTNSRYWBZOTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4.Mg.2H/c1-3-7(4-2,5(8)9)6(10)11;;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);;;/q;+2;2*-1.
What are the key properties of magnesium;2,2-diethylpropanedioic acid;hydride?
magnesium;2,2-diethylpropanedioic acid;hydride has a molecular weight of 186.49 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,2-diethylpropanedioic acid;hydride is sourced from PubChem (CID 173359738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).