[methoxy(methyl)phosphoryl] acetate

C4H9O4P — CID 10034798

IUPAC[methoxy(methyl)phosphoryl] acetate
SMILESCOP(C)(=O)OC(C)=O
InChIInChI=1S/C4H9O4P/c1-4(5)8-9(3,6)7-2/h1-3H3
InChIKeyAHWZALOOTZZLAR-UHFFFAOYSA-N
MW152.09 g/mol
LogP1.02
Rot. Bonds2

About [methoxy(methyl)phosphoryl] acetate

[methoxy(methyl)phosphoryl] acetate (PubChem CID 10034798) has the molecular formula C4H9O4P and a molecular weight of 152.09 g/mol. Its IUPAC name is [methoxy(methyl)phosphoryl] acetate.

Molecular Properties

Compound Name[methoxy(methyl)phosphoryl] acetate
PubChem CID10034798
Molecular FormulaC4H9O4P
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Name[methoxy(methyl)phosphoryl] acetate
SMILESCOP(C)(=O)OC(C)=O
InChIInChI=1S/C4H9O4P/c1-4(5)8-9(3,6)7-2/h1-3H3
InChIKeyAHWZALOOTZZLAR-UHFFFAOYSA-N
XLogP1.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[aminooxy(methyl)phosphoryl] acetate
CID 141024548
dimethylphosphoryl acetate
CID 87462570
methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
CID 57459832
CID 57459832
acetic acid;dimethylphosphoryloxymethane
CID 174989212
diacetyloxyphosphoryl acetate;hydrate
CID 129021524
[methoxy(methyl)phosphoryl] pentanoate
CID 174704014
lithium;diacetyloxyphosphoryl acetate;hydride
CID 175589936
[acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate
CID 91654231
magnesium bis(diacetyl phosphate)
CID 71300565
lithium;potassium;phosphono acetate
CID 71300541
ditert-butylphosphoryl acetate
CID 87532460

Frequently Asked Questions

What is the IUPAC name of [methoxy(methyl)phosphoryl] acetate?
The IUPAC name of [methoxy(methyl)phosphoryl] acetate (CID 10034798) is [methoxy(methyl)phosphoryl] acetate.
What is the SMILES notation for [methoxy(methyl)phosphoryl] acetate?
The canonical SMILES for [methoxy(methyl)phosphoryl] acetate is COP(C)(=O)OC(C)=O.
What is the InChIKey of [methoxy(methyl)phosphoryl] acetate?
The InChIKey is AHWZALOOTZZLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O4P/c1-4(5)8-9(3,6)7-2/h1-3H3.
What are the key properties of [methoxy(methyl)phosphoryl] acetate?
[methoxy(methyl)phosphoryl] acetate has a molecular weight of 152.09 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(methyl)phosphoryl] acetate is sourced from PubChem (CID 10034798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).