magnesium methyl(octyl)phosphinate

C18H40MgO4P2 — CID 176884397

IUPACmagnesium methyl(octyl)phosphinate
SMILESCCCCCCCCP(C)(=O)[O-].CCCCCCCCP(C)(=O)[O-].[Mg+2]
InChIInChI=1S/2C9H21O2P.Mg/c2*1-3-4-5-6-7-8-9-12(2,10)11;/h2*3-9H2,1-2H3,(H,10,11);/q;;+2/p-2
InChIKeyLMZAMIFVNATWHM-UHFFFAOYSA-L
MW406.77 g/mol
LogP4.85
Rot. Bonds14

About magnesium methyl(octyl)phosphinate

magnesium methyl(octyl)phosphinate (PubChem CID 176884397) has the molecular formula C18H40MgO4P2 and a molecular weight of 406.77 g/mol. Its IUPAC name is magnesium methyl(octyl)phosphinate.

Molecular Properties

Compound Namemagnesium methyl(octyl)phosphinate
PubChem CID176884397
Molecular FormulaC18H40MgO4P2
Molecular Weight406.77 g/mol
Exact Mass406.23
IUPAC Namemagnesium methyl(octyl)phosphinate
SMILESCCCCCCCCP(C)(=O)[O-].CCCCCCCCP(C)(=O)[O-].[Mg+2]
InChIInChI=1S/2C9H21O2P.Mg/c2*1-3-4-5-6-7-8-9-12(2,10)11;/h2*3-9H2,1-2H3,(H,10,11);/q;;+2/p-2
InChIKeyLMZAMIFVNATWHM-UHFFFAOYSA-L
XLogP4.85
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.77
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

magnesium dodecyl-dioxido-oxo-λ5-phosphane
CID 165391544
dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
CID 23340104
bis(dioctylphosphinate);nickel(2+)
CID 22743879
sodium dioctylphosphinate
CID 23691904
aluminum tris(didecylphosphinate)
CID 175205611
calcium hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108
cobalt(2+);bis(dioctadecylphosphinate)
CID 140747214
calcium bis(dihexylphosphinate)
CID 170549963
bis(diheptylphosphinate);nickel(2+)
CID 22743867
bis(dipentylphosphinate);nickel(2+)
CID 22743871
aluminum tris(dipentylphosphinate)
CID 175031786

Frequently Asked Questions

What is the IUPAC name of magnesium methyl(octyl)phosphinate?
The IUPAC name of magnesium methyl(octyl)phosphinate (CID 176884397) is magnesium methyl(octyl)phosphinate.
What is the SMILES notation for magnesium methyl(octyl)phosphinate?
The canonical SMILES for magnesium methyl(octyl)phosphinate is CCCCCCCCP(C)(=O)[O-].CCCCCCCCP(C)(=O)[O-].[Mg+2].
What is the InChIKey of magnesium methyl(octyl)phosphinate?
The InChIKey is LMZAMIFVNATWHM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H21O2P.Mg/c2*1-3-4-5-6-7-8-9-12(2,10)11;/h2*3-9H2,1-2H3,(H,10,11);/q;;+2/p-2.
What are the key properties of magnesium methyl(octyl)phosphinate?
magnesium methyl(octyl)phosphinate has a molecular weight of 406.77 g/mol, XLogP of 4.85, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium methyl(octyl)phosphinate is sourced from PubChem (CID 176884397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).