magnesium bis(2-ethylhexyl) phosphate

C16H34MgO4P+ — CID 23071492

IUPACmagnesium bis(2-ethylhexyl) phosphate
SMILESCCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.[Mg+2]
InChIInChI=1S/C16H35O4P.Mg/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);/q;+2/p-1
InChIKeyYUDBETLRWHHEJI-UHFFFAOYSA-M
MW345.72 g/mol
LogP4.54
Rot. Bonds14

About magnesium bis(2-ethylhexyl) phosphate

magnesium bis(2-ethylhexyl) phosphate (PubChem CID 23071492) has the molecular formula C16H34MgO4P+ and a molecular weight of 345.72 g/mol. Its IUPAC name is magnesium bis(2-ethylhexyl) phosphate.

Molecular Properties

Compound Namemagnesium bis(2-ethylhexyl) phosphate
PubChem CID23071492
Molecular FormulaC16H34MgO4P+
Molecular Weight345.72 g/mol
Exact Mass345.20
IUPAC Namemagnesium bis(2-ethylhexyl) phosphate
SMILESCCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.[Mg+2]
InChIInChI=1S/C16H35O4P.Mg/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);/q;+2/p-1
InChIKeyYUDBETLRWHHEJI-UHFFFAOYSA-M
XLogP4.54
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.72
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-ethylhexyl) phosphate;cobalt
CID 174438001
tris(bis(2-ethylhexyl) phosphate);lanthanum(3+)
CID 18461867
potassium;bis(2-ethylhexyl) phosphate;urea
CID 174839333
bis(2-ethylhexyl) phosphate;2-hydroxyethyl(trimethyl)azanium
CID 89486174
potassium 2-ethylhexyl hydrogen phosphate
CID 23690393
2-ethylhexyl octan-2-yl phosphate
CID 18459399
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
bis(2-ethylhexyl octan-2-yl phosphate);nickel(2+)
CID 87135845
CID 87184341
CID 87184341
CID 131883274
CID 131883274
bis[bis(2-ethylhexoxy)phosphoryloxy]indiganyl bis(2-ethylhexyl) phosphate
CID 16704221
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-ethylhexyl) phosphate?
The IUPAC name of magnesium bis(2-ethylhexyl) phosphate (CID 23071492) is magnesium bis(2-ethylhexyl) phosphate.
What is the SMILES notation for magnesium bis(2-ethylhexyl) phosphate?
The canonical SMILES for magnesium bis(2-ethylhexyl) phosphate is CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.[Mg+2].
What is the InChIKey of magnesium bis(2-ethylhexyl) phosphate?
The InChIKey is YUDBETLRWHHEJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H35O4P.Mg/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);/q;+2/p-1.
What are the key properties of magnesium bis(2-ethylhexyl) phosphate?
magnesium bis(2-ethylhexyl) phosphate has a molecular weight of 345.72 g/mol, XLogP of 4.54, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-ethylhexyl) phosphate is sourced from PubChem (CID 23071492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).