acetyl(methoxy)phosphinate

C3H6O4P- — CID 656481

IUPACacetyl(methoxy)phosphinate
SMILESCOP(=O)([O-])C(C)=O
InChIInChI=1S/C3H7O4P/c1-3(4)8(5,6)7-2/h1-2H3,(H,5,6)/p-1
InChIKeyQECABVMKPMRCRZ-UHFFFAOYSA-M
MW137.05 g/mol
LogP-0.27
Rot. Bonds2

About acetyl(methoxy)phosphinate

acetyl(methoxy)phosphinate (PubChem CID 656481) has the molecular formula C3H6O4P- and a molecular weight of 137.05 g/mol. Its IUPAC name is acetyl(methoxy)phosphinate.

Molecular Properties

Compound Nameacetyl(methoxy)phosphinate
PubChem CID656481
Molecular FormulaC3H6O4P-
Molecular Weight137.05 g/mol
Exact Mass137.00
IUPAC Nameacetyl(methoxy)phosphinate
SMILESCOP(=O)([O-])C(C)=O
InChIInChI=1S/C3H7O4P/c1-3(4)8(5,6)7-2/h1-2H3,(H,5,6)/p-1
InChIKeyQECABVMKPMRCRZ-UHFFFAOYSA-M
XLogP-0.27
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.05
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl acetylphosphonate
CID 522997
Dimethyl acetylphosphonate
CID 2785315
Lithium acetyl(methoxy)phosphinate
CID 90667330
Acetylphosphonic acid
CID 81311
Methyl hydrogen (S)-acetylphosphonate
CID 155197
Methyl acetylphosphonate
CID 23674726
1-[Fluoro(methoxy)phosphoryl]ethanone
CID 87462098
Hydrogen acetylphosphonate
CID 146036974
1-[Ethoxy(methoxy)phosphoryl]ethanone
CID 20395114
1-Phosphonatoethanone
CID 21226427
Acetyl-methoxy-oxophosphanium
CID 56982635
Sodium;acetyl-methoxy-oxophosphanium;hydride
CID 173083226

Frequently Asked Questions

What is the IUPAC name of acetyl(methoxy)phosphinate?
The IUPAC name of acetyl(methoxy)phosphinate (CID 656481) is acetyl(methoxy)phosphinate.
What is the SMILES notation for acetyl(methoxy)phosphinate?
The canonical SMILES for acetyl(methoxy)phosphinate is COP(=O)([O-])C(C)=O.
What is the InChIKey of acetyl(methoxy)phosphinate?
The InChIKey is QECABVMKPMRCRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7O4P/c1-3(4)8(5,6)7-2/h1-2H3,(H,5,6)/p-1.
What are the key properties of acetyl(methoxy)phosphinate?
acetyl(methoxy)phosphinate has a molecular weight of 137.05 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(methoxy)phosphinate is sourced from PubChem (CID 656481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).