magnesium hexanedioate

C6H8MgO4 — CID 24074

IUPACmagnesium hexanedioate
SMILESO=C([O-])CCCCC(=O)[O-].[Mg+2]
InChIInChI=1S/C6H10O4.Mg/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2
InChIKeyQXNFATVALXHNRJ-UHFFFAOYSA-L
MW168.43 g/mol
LogP-2.33
Rot. Bonds5

About magnesium hexanedioate

magnesium hexanedioate (PubChem CID 24074) has the molecular formula C6H8MgO4 and a molecular weight of 168.43 g/mol. Its IUPAC name is magnesium hexanedioate.

Molecular Properties

Compound Namemagnesium hexanedioate
PubChem CID24074
Molecular FormulaC6H8MgO4
Molecular Weight168.43 g/mol
Exact Mass168.03
IUPAC Namemagnesium hexanedioate
SMILESO=C([O-])CCCCC(=O)[O-].[Mg+2]
InChIInChI=1S/C6H10O4.Mg/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2
InChIKeyQXNFATVALXHNRJ-UHFFFAOYSA-L
XLogP-2.33
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.43
LogP ≤ 5-2.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cadmium(2+);hexanedioate
CID 19376883
strontium hexanedioate
CID 134687758
tridecanedioate
CID 6994474
dipotassium;octadecanedioate
CID 141466899
disodium;undecanedioate
CID 15107599
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
lithium;hexanedioate;hydron
CID 87066964
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
copper;zinc;bis(decanedioate)
CID 24880289

Frequently Asked Questions

What is the IUPAC name of magnesium hexanedioate?
The IUPAC name of magnesium hexanedioate (CID 24074) is magnesium hexanedioate.
What is the SMILES notation for magnesium hexanedioate?
The canonical SMILES for magnesium hexanedioate is O=C([O-])CCCCC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium hexanedioate?
The InChIKey is QXNFATVALXHNRJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10O4.Mg/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2.
What are the key properties of magnesium hexanedioate?
magnesium hexanedioate has a molecular weight of 168.43 g/mol, XLogP of -2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium hexanedioate is sourced from PubChem (CID 24074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).