diethylphosphinic acid

C12H33O6P3 — CID 123698390

IUPACdiethylphosphinic acid
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)
InChIKeyLFLQZHRHCMDTIP-UHFFFAOYSA-N
MW366.31 g/mol
LogP3.89
Rot. Bonds6

About diethylphosphinic acid

diethylphosphinic acid (PubChem CID 123698390) has the molecular formula C12H33O6P3 and a molecular weight of 366.31 g/mol. Its IUPAC name is diethylphosphinic acid.

Molecular Properties

Compound Namediethylphosphinic acid
PubChem CID123698390
Molecular FormulaC12H33O6P3
Molecular Weight366.31 g/mol
Exact Mass366.15
IUPAC Namediethylphosphinic acid
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)
InChIKeyLFLQZHRHCMDTIP-UHFFFAOYSA-N
XLogP3.89
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(diethylphosphinic acid);zinc
CID 91997271
ethylphosphonic acid;phosphoric acid
CID 87124135
ethylphosphonic acid;zirconium
CID 161117919
barium(2+);ethyl(propyl)phosphinic acid;hydride
CID 174823068
dialuminum;diethylphosphinic acid;ethyl phosphite
CID 175054083
sodium;ethylphosphonic acid;hydride
CID 173023675
3-[ethyl(hydroxy)phosphoryl]propanoic acid
CID 19011064
sodium;ethylphosphonic acid;hydride;hydrate
CID 174785976
ethyl(2-oxopentyl)phosphinic acid
CID 118026065
(2-butoxy-2-oxoethyl)-ethylphosphinic acid
CID 141259746
ethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium
CID 86657605
1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane
CID 59872504

Frequently Asked Questions

What is the IUPAC name of diethylphosphinic acid?
The IUPAC name of diethylphosphinic acid (CID 123698390) is diethylphosphinic acid.
What is the SMILES notation for diethylphosphinic acid?
The canonical SMILES for diethylphosphinic acid is CCP(=O)(O)CC.CCP(=O)(O)CC.CCP(=O)(O)CC.
What is the InChIKey of diethylphosphinic acid?
The InChIKey is LFLQZHRHCMDTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H11O2P/c3*1-3-7(5,6)4-2/h3*3-4H2,1-2H3,(H,5,6).
What are the key properties of diethylphosphinic acid?
diethylphosphinic acid has a molecular weight of 366.31 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethylphosphinic acid is sourced from PubChem (CID 123698390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).