acetyl(ethoxy)phosphinic acid

C4H9O4P — CID 20532313

IUPACacetyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)C(C)=O
InChIInChI=1S/C4H9O4P/c1-3-8-9(6,7)4(2)5/h3H2,1-2H3,(H,6,7)
InChIKeyWUXJCOASEDOVAS-UHFFFAOYSA-N
MW152.09 g/mol
LogP0.75
Rot. Bonds3

About acetyl(ethoxy)phosphinic acid

acetyl(ethoxy)phosphinic acid (PubChem CID 20532313) has the molecular formula C4H9O4P and a molecular weight of 152.09 g/mol. Its IUPAC name is acetyl(ethoxy)phosphinic acid.

Molecular Properties

Compound Nameacetyl(ethoxy)phosphinic acid
PubChem CID20532313
Molecular FormulaC4H9O4P
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Nameacetyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)C(C)=O
InChIInChI=1S/C4H9O4P/c1-3-8-9(6,7)4(2)5/h3H2,1-2H3,(H,6,7)
InChIKeyWUXJCOASEDOVAS-UHFFFAOYSA-N
XLogP0.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl phosphate
CID 654
Diethyl phosphonomethanol
CID 76513
Diethyl acetylphosphonate
CID 522997
Diethyl (2-oxoethyl)phosphonate
CID 342159
Dimethyl acetylphosphonate
CID 2785315
Butyl hydrogen acetylphosphonate
CID 76685170
Lithium acetyl(butoxy)phosphinate
CID 90667332
Methyl hydrogen (S)-acetylphosphonate
CID 155197
Lithium acetyl(ethoxy)phosphinate
CID 90667331
Ethoxy(ethoxycarbonyl)phosphinic acid
CID 511879
Dimethyl (1-oxopropyl)phosphonate
CID 298017
Propionylphosphonic Acid Diethyl Ester
CID 4410891

Frequently Asked Questions

What is the IUPAC name of acetyl(ethoxy)phosphinic acid?
The IUPAC name of acetyl(ethoxy)phosphinic acid (CID 20532313) is acetyl(ethoxy)phosphinic acid.
What is the SMILES notation for acetyl(ethoxy)phosphinic acid?
The canonical SMILES for acetyl(ethoxy)phosphinic acid is CCOP(=O)(O)C(C)=O.
What is the InChIKey of acetyl(ethoxy)phosphinic acid?
The InChIKey is WUXJCOASEDOVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O4P/c1-3-8-9(6,7)4(2)5/h3H2,1-2H3,(H,6,7).
What are the key properties of acetyl(ethoxy)phosphinic acid?
acetyl(ethoxy)phosphinic acid has a molecular weight of 152.09 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(ethoxy)phosphinic acid is sourced from PubChem (CID 20532313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).