ethyl(2-oxopentyl)phosphinic acid

C7H15O3P — CID 118026065

IUPACethyl(2-oxopentyl)phosphinic acid
SMILESCCCC(=O)CP(=O)(O)CC
InChIInChI=1S/C7H15O3P/c1-3-5-7(8)6-11(9,10)4-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyJAMWJRGYEXYVDI-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.65
Rot. Bonds5

About ethyl(2-oxopentyl)phosphinic acid

ethyl(2-oxopentyl)phosphinic acid (PubChem CID 118026065) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is ethyl(2-oxopentyl)phosphinic acid.

Molecular Properties

Compound Nameethyl(2-oxopentyl)phosphinic acid
PubChem CID118026065
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Nameethyl(2-oxopentyl)phosphinic acid
SMILESCCCC(=O)CP(=O)(O)CC
InChIInChI=1S/C7H15O3P/c1-3-5-7(8)6-11(9,10)4-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyJAMWJRGYEXYVDI-UHFFFAOYSA-N
XLogP1.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl(2-oxopentyl)phosphinic acid?
The IUPAC name of ethyl(2-oxopentyl)phosphinic acid (CID 118026065) is ethyl(2-oxopentyl)phosphinic acid.
What is the SMILES notation for ethyl(2-oxopentyl)phosphinic acid?
The canonical SMILES for ethyl(2-oxopentyl)phosphinic acid is CCCC(=O)CP(=O)(O)CC.
What is the InChIKey of ethyl(2-oxopentyl)phosphinic acid?
The InChIKey is JAMWJRGYEXYVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3P/c1-3-5-7(8)6-11(9,10)4-2/h3-6H2,1-2H3,(H,9,10).
What are the key properties of ethyl(2-oxopentyl)phosphinic acid?
ethyl(2-oxopentyl)phosphinic acid has a molecular weight of 178.17 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(2-oxopentyl)phosphinic acid is sourced from PubChem (CID 118026065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).