magnesium;2-butylpropanedioic acid;hydride

C7H14MgO4 — CID 174337936

IUPACmagnesium;2-butylpropanedioic acid;hydride
SMILESCCCCC(C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H12O4.Mg.2H/c1-2-3-4-5(6(8)9)7(10)11;;;/h5H,2-4H2,1H3,(H,8,9)(H,10,11);;;/q;+2;2*-1
InChIKeyNJJBRRHPRWDYGV-UHFFFAOYSA-N
MW186.49 g/mol
LogP0.81
Rot. Bonds5

About magnesium;2-butylpropanedioic acid;hydride

magnesium;2-butylpropanedioic acid;hydride (PubChem CID 174337936) has the molecular formula C7H14MgO4 and a molecular weight of 186.49 g/mol. Its IUPAC name is magnesium;2-butylpropanedioic acid;hydride.

Molecular Properties

Compound Namemagnesium;2-butylpropanedioic acid;hydride
PubChem CID174337936
Molecular FormulaC7H14MgO4
Molecular Weight186.49 g/mol
Exact Mass186.07
IUPAC Namemagnesium;2-butylpropanedioic acid;hydride
SMILESCCCCC(C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H12O4.Mg.2H/c1-2-3-4-5(6(8)9)7(10)11;;;/h5H,2-4H2,1H3,(H,8,9)(H,10,11);;;/q;+2;2*-1
InChIKeyNJJBRRHPRWDYGV-UHFFFAOYSA-N
XLogP0.81
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

2-butylpropanedioic acid;dihydrochloride
CID 87134690
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
calcium;2-dodecylpropanedioic acid;hydride
CID 174967778
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
2-(6-ethylpentadecyl)propanedioic acid
CID 87568390
2-decylpropanedioic acid;ethane-1,2-diol
CID 174702974
2-(8-nonyl-9-octyloctadecyl)propanedioic acid
CID 142769459
calcium;hydride;2-methylhexanoic acid
CID 173227921
dodecanedioic acid;2-undecylpropanedioic acid
CID 160978167
trilithium;2-octylpropanedioic acid;borate
CID 175907806

Frequently Asked Questions

What is the IUPAC name of magnesium;2-butylpropanedioic acid;hydride?
The IUPAC name of magnesium;2-butylpropanedioic acid;hydride (CID 174337936) is magnesium;2-butylpropanedioic acid;hydride.
What is the SMILES notation for magnesium;2-butylpropanedioic acid;hydride?
The canonical SMILES for magnesium;2-butylpropanedioic acid;hydride is CCCCC(C(=O)O)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-butylpropanedioic acid;hydride?
The InChIKey is NJJBRRHPRWDYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4.Mg.2H/c1-2-3-4-5(6(8)9)7(10)11;;;/h5H,2-4H2,1H3,(H,8,9)(H,10,11);;;/q;+2;2*-1.
What are the key properties of magnesium;2-butylpropanedioic acid;hydride?
magnesium;2-butylpropanedioic acid;hydride has a molecular weight of 186.49 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-butylpropanedioic acid;hydride is sourced from PubChem (CID 174337936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).