1-[methoxy(methyl)phosphoryl]ethanone

C4H9O3P — CID 23413399

IUPAC1-[methoxy(methyl)phosphoryl]ethanone
SMILESCOP(C)(=O)C(C)=O
InChIInChI=1S/C4H9O3P/c1-4(5)8(3,6)7-2/h1-3H3
InChIKeyMADOHHFJBDXSOE-UHFFFAOYSA-N
MW136.09 g/mol
LogP1.09
Rot. Bonds2

About 1-[methoxy(methyl)phosphoryl]ethanone

1-[methoxy(methyl)phosphoryl]ethanone (PubChem CID 23413399) has the molecular formula C4H9O3P and a molecular weight of 136.09 g/mol. Its IUPAC name is 1-[methoxy(methyl)phosphoryl]ethanone.

Molecular Properties

Compound Name1-[methoxy(methyl)phosphoryl]ethanone
PubChem CID23413399
Molecular FormulaC4H9O3P
Molecular Weight136.09 g/mol
Exact Mass136.03
IUPAC Name1-[methoxy(methyl)phosphoryl]ethanone
SMILESCOP(C)(=O)C(C)=O
InChIInChI=1S/C4H9O3P/c1-4(5)8(3,6)7-2/h1-3H3
InChIKeyMADOHHFJBDXSOE-UHFFFAOYSA-N
XLogP1.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 51.09
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

Diethyl acetylphosphonate
CID 522997
Dimethyl acetylphosphonate
CID 2785315
Ethyl methyl(2-oxoethyl)phosphinate
CID 13231422
Dimethyl-phosphinic acid ethyl ester
CID 4188716
2-[Methoxy(methyl)phosphoryl]acetaldehyde
CID 13231421
1-[Methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one
CID 2753978
1-[Ethoxy(methoxy)phosphoryl]ethanone
CID 20395114
1-[Ethyl(methoxy)phosphoryl]ethanone
CID 20532342
1-[Methoxy(methyl)phosphoryl]-2-methylpropan-1-one
CID 21464718
1-[Ethoxy(methyl)phosphoryl]ethanone
CID 23418673
Acetyl-methoxy-oxophosphanium
CID 56982635
1-(Methoxy-methyl-methylidene-lambda5-phosphanyl)ethanone
CID 58059275

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(methyl)phosphoryl]ethanone?
The IUPAC name of 1-[methoxy(methyl)phosphoryl]ethanone (CID 23413399) is 1-[methoxy(methyl)phosphoryl]ethanone.
What is the SMILES notation for 1-[methoxy(methyl)phosphoryl]ethanone?
The canonical SMILES for 1-[methoxy(methyl)phosphoryl]ethanone is COP(C)(=O)C(C)=O.
What is the InChIKey of 1-[methoxy(methyl)phosphoryl]ethanone?
The InChIKey is MADOHHFJBDXSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3P/c1-4(5)8(3,6)7-2/h1-3H3.
What are the key properties of 1-[methoxy(methyl)phosphoryl]ethanone?
1-[methoxy(methyl)phosphoryl]ethanone has a molecular weight of 136.09 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methyl)phosphoryl]ethanone is sourced from PubChem (CID 23413399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).