acetyl-methoxy-oxophosphanium

C3H6O3P+ — CID 56982635

IUPACacetyl-methoxy-oxophosphanium
SMILESCO[P+](=O)C(C)=O
InChIInChI=1S/C3H6O3P/c1-3(4)7(5)6-2/h1-2H3/q+1
InChIKeyAQQRHVHNPCJGQM-UHFFFAOYSA-N
MW121.05 g/mol
LogP0.92
Rot. Bonds2

About acetyl-methoxy-oxophosphanium

acetyl-methoxy-oxophosphanium (PubChem CID 56982635) has the molecular formula C3H6O3P+ and a molecular weight of 121.05 g/mol. Its IUPAC name is acetyl-methoxy-oxophosphanium.

Molecular Properties

Compound Nameacetyl-methoxy-oxophosphanium
PubChem CID56982635
Molecular FormulaC3H6O3P+
Molecular Weight121.05 g/mol
Exact Mass121.00
IUPAC Nameacetyl-methoxy-oxophosphanium
SMILESCO[P+](=O)C(C)=O
InChIInChI=1S/C3H6O3P/c1-3(4)7(5)6-2/h1-2H3/q+1
InChIKeyAQQRHVHNPCJGQM-UHFFFAOYSA-N
XLogP0.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.05
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl acetylphosphonate
CID 2785315
Lithium acetyl(methoxy)phosphinate
CID 90667330
Methyl hydrogen (S)-acetylphosphonate
CID 155197
Methyl acetylphosphonate
CID 23674726
Acetyl(methoxy)phosphinate
CID 656481
Acetylphosphinate
CID 6365480
Acetyl-methyl-phosphinic acid methyl ester
CID 23413399
1-[Fluoro(methoxy)phosphoryl]ethanone
CID 87462098
CID 59448091
CID 59448091
Acetyl-ethoxy-oxophosphanium
CID 87455010
Ethoxy-formyl-oxophosphanium
CID 89716540
Acetyl(methyl)phosphinate
CID 158077970

Frequently Asked Questions

What is the IUPAC name of acetyl-methoxy-oxophosphanium?
The IUPAC name of acetyl-methoxy-oxophosphanium (CID 56982635) is acetyl-methoxy-oxophosphanium.
What is the SMILES notation for acetyl-methoxy-oxophosphanium?
The canonical SMILES for acetyl-methoxy-oxophosphanium is CO[P+](=O)C(C)=O.
What is the InChIKey of acetyl-methoxy-oxophosphanium?
The InChIKey is AQQRHVHNPCJGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3P/c1-3(4)7(5)6-2/h1-2H3/q+1.
What are the key properties of acetyl-methoxy-oxophosphanium?
acetyl-methoxy-oxophosphanium has a molecular weight of 121.05 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-methoxy-oxophosphanium is sourced from PubChem (CID 56982635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).