acetic acid;dimethylphosphoryloxymethane

C5H13O4P — CID 174989212

IUPACacetic acid;dimethylphosphoryloxymethane
SMILESCC(=O)O.COP(C)(C)=O
InChIInChI=1S/C3H9O2P.C2H4O2/c1-5-6(2,3)4;1-2(3)4/h1-3H3;1H3,(H,3,4)
InChIKeyREZZISPEAJXTKW-UHFFFAOYSA-N
MW168.13 g/mol
LogP1.26
Rot. Bonds1

About acetic acid;dimethylphosphoryloxymethane

acetic acid;dimethylphosphoryloxymethane (PubChem CID 174989212) has the molecular formula C5H13O4P and a molecular weight of 168.13 g/mol. Its IUPAC name is acetic acid;dimethylphosphoryloxymethane.

Molecular Properties

Compound Nameacetic acid;dimethylphosphoryloxymethane
PubChem CID174989212
Molecular FormulaC5H13O4P
Molecular Weight168.13 g/mol
Exact Mass168.06
IUPAC Nameacetic acid;dimethylphosphoryloxymethane
SMILESCC(=O)O.COP(C)(C)=O
InChIInChI=1S/C3H9O2P.C2H4O2/c1-5-6(2,3)4;1-2(3)4/h1-3H3;1H3,(H,3,4)
InChIKeyREZZISPEAJXTKW-UHFFFAOYSA-N
XLogP1.26
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;ruthenium
CID 175502908
2-[[methoxy(methyl)phosphoryl]amino]propanoic acid
CID 123444426
acetic acid;ethene
CID 172797220
acetic acid
CID 158444727
acetic acid;cobalt;phosphoric acid
CID 174842184
acetic acid;2-methoxyethanethiol
CID 162333628
[methoxy(methyl)phosphoryl] acetate
CID 10034798
dimethylphosphoryl acetate
CID 87462570
acetic acid;2-methylprop-1-ene
CID 139328555
acetic acid;formaldehyde;hydrate
CID 19350045
methyl dihydrogen phosphate;prop-2-enoic acid
CID 159593084
acetic acid;phosphono dihydrogen phosphate;phosphoric acid
CID 88733603

Frequently Asked Questions

What is the IUPAC name of acetic acid;dimethylphosphoryloxymethane?
The IUPAC name of acetic acid;dimethylphosphoryloxymethane (CID 174989212) is acetic acid;dimethylphosphoryloxymethane.
What is the SMILES notation for acetic acid;dimethylphosphoryloxymethane?
The canonical SMILES for acetic acid;dimethylphosphoryloxymethane is CC(=O)O.COP(C)(C)=O.
What is the InChIKey of acetic acid;dimethylphosphoryloxymethane?
The InChIKey is REZZISPEAJXTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O2P.C2H4O2/c1-5-6(2,3)4;1-2(3)4/h1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;dimethylphosphoryloxymethane?
acetic acid;dimethylphosphoryloxymethane has a molecular weight of 168.13 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;dimethylphosphoryloxymethane is sourced from PubChem (CID 174989212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).