methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate

C7H13O7P — CID 59360628

IUPACmethyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate
SMILESCOC(=O)COP(C)(=O)OCC(=O)OC
InChIInChI=1S/C7H13O7P/c1-11-6(8)4-13-15(3,10)14-5-7(9)12-2/h4-5H2,1-3H3
InChIKeyUTTQNGSEUWKGAL-UHFFFAOYSA-N
MW240.15 g/mol
LogP0.19
Rot. Bonds6

About methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate

methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate (PubChem CID 59360628) has the molecular formula C7H13O7P and a molecular weight of 240.15 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate
PubChem CID59360628
Molecular FormulaC7H13O7P
Molecular Weight240.15 g/mol
Exact Mass240.04
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate
SMILESCOC(=O)COP(C)(=O)OCC(=O)OC
InChIInChI=1S/C7H13O7P/c1-11-6(8)4-13-15(3,10)14-5-7(9)12-2/h4-5H2,1-3H3
InChIKeyUTTQNGSEUWKGAL-UHFFFAOYSA-N
XLogP0.19
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
methyl 4-oxo-5-phosphonooxypentanoate
CID 132838497
1-[methoxy(methyl)phosphoryl]oxypentan-2-one
CID 88842238
methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163
methyl 2-prop-1-en-2-yloxyacetate
CID 90436519
methyl 2-(diethoxyphosphoryloxymethoxy)acetate
CID 141170254
methyl 2-(methylaminooxy)acetate
CID 87955923
methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 71676237
methyl 2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 4170388
CID 87726616
CID 87726616
methyl 2-(2-methoxyethoxymethoxy)acetate
CID 86258559
(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
CID 22289237

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate (CID 59360628) is methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate is COC(=O)COP(C)(=O)OCC(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate?
The InChIKey is UTTQNGSEUWKGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O7P/c1-11-6(8)4-13-15(3,10)14-5-7(9)12-2/h4-5H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate?
methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate has a molecular weight of 240.15 g/mol, XLogP of 0.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate is sourced from PubChem (CID 59360628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).