dimagnesium;tetrakis(octanoate)

C32H60Mg2O8 — CID 160745729

IUPACdimagnesium;tetrakis(octanoate)
SMILESCCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Mg+2].[Mg+2]
InChIInChI=1S/4C8H16O2.2Mg/c4*1-2-3-4-5-6-7-8(9)10;;/h4*2-7H2,1H3,(H,9,10);;/q;;;;2*+2/p-4
InChIKeyAILISWNJRBTHAH-UHFFFAOYSA-J
MW621.43 g/mol
LogP3.63
Rot. Bonds24

About dimagnesium;tetrakis(octanoate)

dimagnesium;tetrakis(octanoate) (PubChem CID 160745729) has the molecular formula C32H60Mg2O8 and a molecular weight of 621.43 g/mol. Its IUPAC name is dimagnesium;tetrakis(octanoate).

Molecular Properties

Compound Namedimagnesium;tetrakis(octanoate)
PubChem CID160745729
Molecular FormulaC32H60Mg2O8
Molecular Weight621.43 g/mol
Exact Mass620.40
IUPAC Namedimagnesium;tetrakis(octanoate)
SMILESCCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Mg+2].[Mg+2]
InChIInChI=1S/4C8H16O2.2Mg/c4*1-2-3-4-5-6-7-8(9)10;;/h4*2-7H2,1H3,(H,9,10);;/q;;;;2*+2/p-4
InChIKeyAILISWNJRBTHAH-UHFFFAOYSA-J
XLogP3.63
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

magnesium bis(undecanoate)
CID 87902169
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
dimagnesium bis(octadecanoate)
CID 19043233
trimagnesium;tris(octadecanoate)
CID 159626374
magnesium;cerium(3+);octadecanoate;oxygen(2-)
CID 160620488
magnesium;octanoate;chloride
CID 172837629
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890
octadecanoate
CID 3033836
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554

Frequently Asked Questions

What is the IUPAC name of dimagnesium;tetrakis(octanoate)?
The IUPAC name of dimagnesium;tetrakis(octanoate) (CID 160745729) is dimagnesium;tetrakis(octanoate).
What is the SMILES notation for dimagnesium;tetrakis(octanoate)?
The canonical SMILES for dimagnesium;tetrakis(octanoate) is CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;tetrakis(octanoate)?
The InChIKey is AILISWNJRBTHAH-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H16O2.2Mg/c4*1-2-3-4-5-6-7-8(9)10;;/h4*2-7H2,1H3,(H,9,10);;/q;;;;2*+2/p-4.
What are the key properties of dimagnesium;tetrakis(octanoate)?
dimagnesium;tetrakis(octanoate) has a molecular weight of 621.43 g/mol, XLogP of 3.63, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;tetrakis(octanoate) is sourced from PubChem (CID 160745729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).