magnesium bis(undecanoate)

C22H42MgO4 — CID 87902169

IUPACmagnesium bis(undecanoate)
SMILESCCCCCCCCCCC(=O)[O-].CCCCCCCCCCC(=O)[O-].[Mg+2]
InChIInChI=1S/2C11H22O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2-10H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyMMJHZNSTBWIZNS-UHFFFAOYSA-L
MW394.88 g/mol
LogP4.15
Rot. Bonds18

About magnesium bis(undecanoate)

magnesium bis(undecanoate) (PubChem CID 87902169) has the molecular formula C22H42MgO4 and a molecular weight of 394.88 g/mol. Its IUPAC name is magnesium bis(undecanoate).

Molecular Properties

Compound Namemagnesium bis(undecanoate)
PubChem CID87902169
Molecular FormulaC22H42MgO4
Molecular Weight394.88 g/mol
Exact Mass394.29
IUPAC Namemagnesium bis(undecanoate)
SMILESCCCCCCCCCCC(=O)[O-].CCCCCCCCCCC(=O)[O-].[Mg+2]
InChIInChI=1S/2C11H22O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2-10H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyMMJHZNSTBWIZNS-UHFFFAOYSA-L
XLogP4.15
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 54.15
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

dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
dimagnesium bis(octadecanoate)
CID 19043233
dimagnesium;tetrakis(octanoate)
CID 160745729
trimagnesium;tris(octadecanoate)
CID 159626374
magnesium;octanoate;chloride
CID 172837629
magnesium;cerium(3+);octadecanoate;oxygen(2-)
CID 160620488
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 magnesium bis(undecanoate)?
The IUPAC name of magnesium bis(undecanoate) (CID 87902169) is magnesium bis(undecanoate).
What is the SMILES notation for magnesium bis(undecanoate)?
The canonical SMILES for magnesium bis(undecanoate) is CCCCCCCCCCC(=O)[O-].CCCCCCCCCCC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(undecanoate)?
The InChIKey is MMJHZNSTBWIZNS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H22O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2-10H2,1H3,(H,12,13);/q;;+2/p-2.
What are the key properties of magnesium bis(undecanoate)?
magnesium bis(undecanoate) has a molecular weight of 394.88 g/mol, XLogP of 4.15, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(undecanoate) is sourced from PubChem (CID 87902169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).