1-[acetyl(methyl)phosphoryl]ethanone

C5H9O3P — CID 18709962

IUPAC1-[acetyl(methyl)phosphoryl]ethanone
SMILESCC(=O)P(C)(=O)C(C)=O
InChIInChI=1S/C5H9O3P/c1-4(6)9(3,8)5(2)7/h1-3H3
InChIKeySEAYZFHRDKEQML-UHFFFAOYSA-N
MW148.10 g/mol
LogP1.07
Rot. Bonds2

About 1-[acetyl(methyl)phosphoryl]ethanone

1-[acetyl(methyl)phosphoryl]ethanone (PubChem CID 18709962) has the molecular formula C5H9O3P and a molecular weight of 148.10 g/mol. Its IUPAC name is 1-[acetyl(methyl)phosphoryl]ethanone.

Molecular Properties

Compound Name1-[acetyl(methyl)phosphoryl]ethanone
PubChem CID18709962
Molecular FormulaC5H9O3P
Molecular Weight148.10 g/mol
Exact Mass148.03
IUPAC Name1-[acetyl(methyl)phosphoryl]ethanone
SMILESCC(=O)P(C)(=O)C(C)=O
InChIInChI=1S/C5H9O3P/c1-4(6)9(3,8)5(2)7/h1-3H3
InChIKeySEAYZFHRDKEQML-UHFFFAOYSA-N
XLogP1.07
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 51.07
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

1-(Dimethylphosphoryl)ethan-1-one
CID 12467205
1,1',1''-Phosphanetriyltris(ethan-1-one)
CID 12726359
1-[Acetyl(methyl)phosphanyl]ethanone
CID 23414375
Diacetyl(oxo)phosphanium
CID 17918162
Carbanide;1-[methyl-methylidene-(oxomethyl)-lambda5-phosphanyl]ethanone;bis(yttrium)
CID 20727389
1-Diethylphosphorylethanone
CID 34551264
1-Dimethylphosphorylpropan-1-one
CID 54029610
1-Diacetylphosphorylethanone
CID 57783144
1-(Methoxy-methyl-methylidene-lambda5-phosphanyl)ethanone
CID 58059275
CID 58960279
CID 58960279
1,1-Bis(dimethylphosphoryl)ethanolate
CID 59782229
2-Dimethylphosphorylethanone;tungsten
CID 59915861

Frequently Asked Questions

What is the IUPAC name of 1-[acetyl(methyl)phosphoryl]ethanone?
The IUPAC name of 1-[acetyl(methyl)phosphoryl]ethanone (CID 18709962) is 1-[acetyl(methyl)phosphoryl]ethanone.
What is the SMILES notation for 1-[acetyl(methyl)phosphoryl]ethanone?
The canonical SMILES for 1-[acetyl(methyl)phosphoryl]ethanone is CC(=O)P(C)(=O)C(C)=O.
What is the InChIKey of 1-[acetyl(methyl)phosphoryl]ethanone?
The InChIKey is SEAYZFHRDKEQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O3P/c1-4(6)9(3,8)5(2)7/h1-3H3.
What are the key properties of 1-[acetyl(methyl)phosphoryl]ethanone?
1-[acetyl(methyl)phosphoryl]ethanone has a molecular weight of 148.10 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(methyl)phosphoryl]ethanone is sourced from PubChem (CID 18709962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).