diethylphosphinate

C12H30O6P3-3 — CID 159335352

IUPACdiethylphosphinate
SMILESCCP(=O)([O-])CC.CCP(=O)([O-])CC.CCP(=O)([O-])CC
InChIInChI=1S/3C4H11O2P/c3*1-3-7(5,6)4-2/h3*3-4H2,1-2H3,(H,5,6)/p-3
InChIKeyLFLQZHRHCMDTIP-UHFFFAOYSA-K
MW363.29 g/mol
LogP1.99
Rot. Bonds6

About diethylphosphinate

diethylphosphinate (PubChem CID 159335352) has the molecular formula C12H30O6P3-3 and a molecular weight of 363.29 g/mol. Its IUPAC name is diethylphosphinate.

Molecular Properties

Compound Namediethylphosphinate
PubChem CID159335352
Molecular FormulaC12H30O6P3-3
Molecular Weight363.29 g/mol
Exact Mass363.13
IUPAC Namediethylphosphinate
SMILESCCP(=O)([O-])CC.CCP(=O)([O-])CC.CCP(=O)([O-])CC
InChIInChI=1S/3C4H11O2P/c3*1-3-7(5,6)4-2/h3*3-4H2,1-2H3,(H,5,6)/p-3
InChIKeyLFLQZHRHCMDTIP-UHFFFAOYSA-K
XLogP1.99
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(diethylphosphinate);titanium(4+)
CID 86595913
hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)
CID 176986866
aluminum;diethylphosphinate;terephthalate
CID 68742524
dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate
CID 161477134
butane;lanthanum(3+);phosphate
CID 118953489
tetrakis(dibutylphosphinate);tin(4+)
CID 175973447
potassium;dihydrogen phosphate;ethanol
CID 160928957
aluminum tris(dipentylphosphinate)
CID 175031786
bis(dipentylphosphinate);nickel(2+)
CID 22743871
tetrasodium ethyl phosphate
CID 141178132
CID 21116708
CID 21116708
triazanium;propylazanium;diphosphate
CID 154732334

Frequently Asked Questions

What is the IUPAC name of diethylphosphinate?
The IUPAC name of diethylphosphinate (CID 159335352) is diethylphosphinate.
What is the SMILES notation for diethylphosphinate?
The canonical SMILES for diethylphosphinate is CCP(=O)([O-])CC.CCP(=O)([O-])CC.CCP(=O)([O-])CC.
What is the InChIKey of diethylphosphinate?
The InChIKey is LFLQZHRHCMDTIP-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4H11O2P/c3*1-3-7(5,6)4-2/h3*3-4H2,1-2H3,(H,5,6)/p-3.
What are the key properties of diethylphosphinate?
diethylphosphinate has a molecular weight of 363.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethylphosphinate is sourced from PubChem (CID 159335352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).