ethyl(hydroperoxy)phosphinic acid

C2H7O4P — CID 54175112

IUPACethyl(hydroperoxy)phosphinic acid
SMILESCCP(=O)(O)OO
InChIInChI=1S/C2H7O4P/c1-2-7(4,5)6-3/h3H,2H2,1H3,(H,4,5)
InChIKeyMLCAORPWAZHFAJ-UHFFFAOYSA-N
MW126.05 g/mol
LogP0.68
Rot. Bonds2

About ethyl(hydroperoxy)phosphinic acid

ethyl(hydroperoxy)phosphinic acid (PubChem CID 54175112) has the molecular formula C2H7O4P and a molecular weight of 126.05 g/mol. Its IUPAC name is ethyl(hydroperoxy)phosphinic acid.

Molecular Properties

Compound Nameethyl(hydroperoxy)phosphinic acid
PubChem CID54175112
Molecular FormulaC2H7O4P
Molecular Weight126.05 g/mol
Exact Mass126.01
IUPAC Nameethyl(hydroperoxy)phosphinic acid
SMILESCCP(=O)(O)OO
InChIInChI=1S/C2H7O4P/c1-2-7(4,5)6-3/h3H,2H2,1H3,(H,4,5)
InChIKeyMLCAORPWAZHFAJ-UHFFFAOYSA-N
XLogP0.68
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.05
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl(hydroperoxy)phosphinic acid;rhenium
CID 174770512
ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
CID 139581745
aminomethyl(hydroperoxy)phosphinic acid
CID 142766787
CID 87274277
CID 87274277
butoxy(ethyl)phosphinic acid
CID 71353007
diethylphosphinic acid
CID 123698390
ethylphosphonic acid;phosphoric acid
CID 87124135
ethylphosphonic acid;zirconium
CID 161117919
hexakis(decane);hydroxy dihydrogen phosphate
CID 173398841
ethyl(prop-2-enoyloxy)phosphinic acid
CID 174324939
2-chloroethylperoxy(ethyl)phosphinic acid
CID 174902353
bis(diethylphosphinic acid);zinc
CID 91997271

Frequently Asked Questions

What is the IUPAC name of ethyl(hydroperoxy)phosphinic acid?
The IUPAC name of ethyl(hydroperoxy)phosphinic acid (CID 54175112) is ethyl(hydroperoxy)phosphinic acid.
What is the SMILES notation for ethyl(hydroperoxy)phosphinic acid?
The canonical SMILES for ethyl(hydroperoxy)phosphinic acid is CCP(=O)(O)OO.
What is the InChIKey of ethyl(hydroperoxy)phosphinic acid?
The InChIKey is MLCAORPWAZHFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O4P/c1-2-7(4,5)6-3/h3H,2H2,1H3,(H,4,5).
What are the key properties of ethyl(hydroperoxy)phosphinic acid?
ethyl(hydroperoxy)phosphinic acid has a molecular weight of 126.05 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(hydroperoxy)phosphinic acid is sourced from PubChem (CID 54175112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).