dimethylphosphoryl acetate

C4H9O3P — CID 87462570

IUPACdimethylphosphoryl acetate
SMILESCC(=O)OP(C)(C)=O
InChIInChI=1S/C4H9O3P/c1-4(5)7-8(2,3)6/h1-3H3
InChIKeyWOSBOAVFNLHNMC-UHFFFAOYSA-N
MW136.09 g/mol
LogP1.09
Rot. Bonds1

About dimethylphosphoryl acetate

dimethylphosphoryl acetate (PubChem CID 87462570) has the molecular formula C4H9O3P and a molecular weight of 136.09 g/mol. Its IUPAC name is dimethylphosphoryl acetate.

Molecular Properties

Compound Namedimethylphosphoryl acetate
PubChem CID87462570
Molecular FormulaC4H9O3P
Molecular Weight136.09 g/mol
Exact Mass136.03
IUPAC Namedimethylphosphoryl acetate
SMILESCC(=O)OP(C)(C)=O
InChIInChI=1S/C4H9O3P/c1-4(5)7-8(2,3)6/h1-3H3
InChIKeyWOSBOAVFNLHNMC-UHFFFAOYSA-N
XLogP1.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

diacetyloxyphosphoryl acetate;hydrate
CID 129021524
[methoxy(methyl)phosphoryl] acetate
CID 10034798
[aminooxy(methyl)phosphoryl] acetate
CID 141024548
lithium;diacetyloxyphosphoryl acetate;hydride
CID 175589936
lithium;potassium;phosphono acetate
CID 71300541
magnesium bis(diacetyl phosphate)
CID 71300565
[acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate
CID 91654231
[acetyloxy(ethyl)phosphoryl] acetate
CID 173089018
acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate
CID 88649282
calcium;[acetyl(acetyloxy)phosphoryl] acetate;hydride
CID 175481862
dimethylphosphoryl 2-methylpropanoate
CID 87754367
ditert-butylphosphoryl acetate
CID 87532460

Frequently Asked Questions

What is the IUPAC name of dimethylphosphoryl acetate?
The IUPAC name of dimethylphosphoryl acetate (CID 87462570) is dimethylphosphoryl acetate.
What is the SMILES notation for dimethylphosphoryl acetate?
The canonical SMILES for dimethylphosphoryl acetate is CC(=O)OP(C)(C)=O.
What is the InChIKey of dimethylphosphoryl acetate?
The InChIKey is WOSBOAVFNLHNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3P/c1-4(5)7-8(2,3)6/h1-3H3.
What are the key properties of dimethylphosphoryl acetate?
dimethylphosphoryl acetate has a molecular weight of 136.09 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphoryl acetate is sourced from PubChem (CID 87462570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).