acetyl(methyl)phosphinate

C3H6O3P- — CID 158077970

IUPACacetyl(methyl)phosphinate
SMILESCC(=O)P(C)(=O)[O-]
InChIInChI=1S/C3H7O3P/c1-3(4)7(2,5)6/h1-2H3,(H,5,6)/p-1
InChIKeyFMPHMQNWLFQINY-UHFFFAOYSA-M
MW121.05 g/mol
LogP-0.20
Rot. Bonds1

About acetyl(methyl)phosphinate

acetyl(methyl)phosphinate (PubChem CID 158077970) has the molecular formula C3H6O3P- and a molecular weight of 121.05 g/mol. Its IUPAC name is acetyl(methyl)phosphinate.

Molecular Properties

Compound Nameacetyl(methyl)phosphinate
PubChem CID158077970
Molecular FormulaC3H6O3P-
Molecular Weight121.05 g/mol
Exact Mass121.01
IUPAC Nameacetyl(methyl)phosphinate
SMILESCC(=O)P(C)(=O)[O-]
InChIInChI=1S/C3H7O3P/c1-3(4)7(2,5)6/h1-2H3,(H,5,6)/p-1
InChIKeyFMPHMQNWLFQINY-UHFFFAOYSA-M
XLogP-0.20
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.05
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetyl(methyl)phosphinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetyl(methyl)phosphinate?
The IUPAC name of acetyl(methyl)phosphinate (CID 158077970) is acetyl(methyl)phosphinate.
What is the SMILES notation for acetyl(methyl)phosphinate?
The canonical SMILES for acetyl(methyl)phosphinate is CC(=O)P(C)(=O)[O-].
What is the InChIKey of acetyl(methyl)phosphinate?
The InChIKey is FMPHMQNWLFQINY-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7O3P/c1-3(4)7(2,5)6/h1-2H3,(H,5,6)/p-1.
What are the key properties of acetyl(methyl)phosphinate?
acetyl(methyl)phosphinate has a molecular weight of 121.05 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(methyl)phosphinate is sourced from PubChem (CID 158077970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).