magnesium;butane;propanedioate

C7H12MgO4 — CID 18427664

IUPACmagnesium;butane;propanedioate
SMILESCCCC.O=C([O-])CC(=O)[O-].[Mg+2]
InChIInChI=1S/C4H10.C3H4O4.Mg/c1-3-4-2;4-2(5)1-3(6)7;/h3-4H2,1-2H3;1H2,(H,4,5)(H,6,7);/q;;+2/p-2
InChIKeyOOUBGQGIRYSYMN-UHFFFAOYSA-L
MW184.47 g/mol
LogP-1.70
Rot. Bonds3

About magnesium;butane;propanedioate

magnesium;butane;propanedioate (PubChem CID 18427664) has the molecular formula C7H12MgO4 and a molecular weight of 184.47 g/mol. Its IUPAC name is magnesium;butane;propanedioate.

Molecular Properties

Compound Namemagnesium;butane;propanedioate
PubChem CID18427664
Molecular FormulaC7H12MgO4
Molecular Weight184.47 g/mol
Exact Mass184.06
IUPAC Namemagnesium;butane;propanedioate
SMILESCCCC.O=C([O-])CC(=O)[O-].[Mg+2]
InChIInChI=1S/C4H10.C3H4O4.Mg/c1-3-4-2;4-2(5)1-3(6)7;/h3-4H2,1-2H3;1H2,(H,4,5)(H,6,7);/q;;+2/p-2
InChIKeyOOUBGQGIRYSYMN-UHFFFAOYSA-L
XLogP-1.70
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.47
LogP ≤ 5-1.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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butylazanide;platinum(4+);propanedioate
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lithium;sodium;propanedioate;propanoic acid
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Frequently Asked Questions

What is the IUPAC name of magnesium;butane;propanedioate?
The IUPAC name of magnesium;butane;propanedioate (CID 18427664) is magnesium;butane;propanedioate.
What is the SMILES notation for magnesium;butane;propanedioate?
The canonical SMILES for magnesium;butane;propanedioate is CCCC.O=C([O-])CC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium;butane;propanedioate?
The InChIKey is OOUBGQGIRYSYMN-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H10.C3H4O4.Mg/c1-3-4-2;4-2(5)1-3(6)7;/h3-4H2,1-2H3;1H2,(H,4,5)(H,6,7);/q;;+2/p-2.
What are the key properties of magnesium;butane;propanedioate?
magnesium;butane;propanedioate has a molecular weight of 184.47 g/mol, XLogP of -1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butane;propanedioate is sourced from PubChem (CID 18427664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).