magnesium 2-decyltetradecyl phosphate

C24H49MgO4P — CID 172850772

IUPACmagnesium 2-decyltetradecyl phosphate
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)COP(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C24H51O4P.Mg/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-28-29(25,26)27)21-19-17-15-12-10-8-6-4-2;/h24H,3-23H2,1-2H3,(H2,25,26,27);/q;+2/p-2
InChIKeyYAPYRECNVHCOAU-UHFFFAOYSA-L
MW456.93 g/mol
LogP6.91
Rot. Bonds23

About magnesium 2-decyltetradecyl phosphate

magnesium 2-decyltetradecyl phosphate (PubChem CID 172850772) has the molecular formula C24H49MgO4P and a molecular weight of 456.93 g/mol. Its IUPAC name is magnesium 2-decyltetradecyl phosphate.

Molecular Properties

Compound Namemagnesium 2-decyltetradecyl phosphate
PubChem CID172850772
Molecular FormulaC24H49MgO4P
Molecular Weight456.93 g/mol
Exact Mass456.32
IUPAC Namemagnesium 2-decyltetradecyl phosphate
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)COP(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C24H51O4P.Mg/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-28-29(25,26)27)21-19-17-15-12-10-8-6-4-2;/h24H,3-23H2,1-2H3,(H2,25,26,27);/q;+2/p-2
InChIKeyYAPYRECNVHCOAU-UHFFFAOYSA-L
XLogP6.91
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.93
LogP ≤ 56.91
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

dipotassium;2-hexyldecyl phosphate
CID 56842986
dipotassium;2-butyldecyl phosphate
CID 172796853
disodium;2-propylhexyl phosphate
CID 153363799
trisodium;7-(2-hexyldecoxymethyl)pentadecane;phosphate
CID 172746408
8-[[chloro(2-heptylundecoxy)phosphoryl]oxymethyl]heptadecane
CID 11072206
bis(2-decylpentadecyl) hydrogen phosphate
CID 57320275
2-ethylhexyl phosphate;bis(hexadecyl(trimethyl)azanium)
CID 19078835
ethyl bis(2-heptylundecyl) phosphate
CID 10963237
sodium oxiran-2-ylmethyl 2-tetradecyloctadecyl phosphate
CID 23698434
magnesium bis(2-ethylhexyl) phosphate
CID 23071492
bis(2-ethyloctyl) hydrogen phosphate
CID 15134822
propyl phosphate;bis(tetrahexylphosphanium)
CID 87474397

Frequently Asked Questions

What is the IUPAC name of magnesium 2-decyltetradecyl phosphate?
The IUPAC name of magnesium 2-decyltetradecyl phosphate (CID 172850772) is magnesium 2-decyltetradecyl phosphate.
What is the SMILES notation for magnesium 2-decyltetradecyl phosphate?
The canonical SMILES for magnesium 2-decyltetradecyl phosphate is CCCCCCCCCCCCC(CCCCCCCCCC)COP(=O)([O-])[O-].[Mg+2].
What is the InChIKey of magnesium 2-decyltetradecyl phosphate?
The InChIKey is YAPYRECNVHCOAU-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H51O4P.Mg/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-28-29(25,26)27)21-19-17-15-12-10-8-6-4-2;/h24H,3-23H2,1-2H3,(H2,25,26,27);/q;+2/p-2.
What are the key properties of magnesium 2-decyltetradecyl phosphate?
magnesium 2-decyltetradecyl phosphate has a molecular weight of 456.93 g/mol, XLogP of 6.91, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2-decyltetradecyl phosphate is sourced from PubChem (CID 172850772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).