methyl 2-(diethoxyphosphoryloxymethoxy)acetate

C8H17O7P — CID 141170254

IUPACmethyl 2-(diethoxyphosphoryloxymethoxy)acetate
SMILESCCOP(=O)(OCC)OCOCC(=O)OC
InChIInChI=1S/C8H17O7P/c1-4-13-16(10,14-5-2)15-7-12-6-8(9)11-3/h4-7H2,1-3H3
InChIKeyBEBJUOAUZUWCQL-UHFFFAOYSA-N
MW256.19 g/mol
LogP1.33
Rot. Bonds9

About methyl 2-(diethoxyphosphoryloxymethoxy)acetate

methyl 2-(diethoxyphosphoryloxymethoxy)acetate (PubChem CID 141170254) has the molecular formula C8H17O7P and a molecular weight of 256.19 g/mol. Its IUPAC name is methyl 2-(diethoxyphosphoryloxymethoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(diethoxyphosphoryloxymethoxy)acetate
PubChem CID141170254
Molecular FormulaC8H17O7P
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Namemethyl 2-(diethoxyphosphoryloxymethoxy)acetate
SMILESCCOP(=O)(OCC)OCOCC(=O)OC
InChIInChI=1S/C8H17O7P/c1-4-13-16(10,14-5-2)15-7-12-6-8(9)11-3/h4-7H2,1-3H3
InChIKeyBEBJUOAUZUWCQL-UHFFFAOYSA-N
XLogP1.33
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(methoxymethoxy)acetate
CID 11018922
methyl 2-(2-methoxyethoxymethoxy)acetate
CID 86258559
methyl 2-(propoxymethoxy)acetate
CID 162143030
acetic acid;triethyl phosphate
CID 161446956
diethyl 2-methoxyethyl phosphate
CID 547489
methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163
methyl 2-[(2-methoxy-2-oxoethoxy)-methylphosphoryl]oxyacetate
CID 59360628
[2-(dimethylamino)-2-oxoethyl] diethyl phosphate
CID 141322908
ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 86208858
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
triethyl phosphate;bis(trimethylsilane)
CID 175760856

Frequently Asked Questions

What is the IUPAC name of methyl 2-(diethoxyphosphoryloxymethoxy)acetate?
The IUPAC name of methyl 2-(diethoxyphosphoryloxymethoxy)acetate (CID 141170254) is methyl 2-(diethoxyphosphoryloxymethoxy)acetate.
What is the SMILES notation for methyl 2-(diethoxyphosphoryloxymethoxy)acetate?
The canonical SMILES for methyl 2-(diethoxyphosphoryloxymethoxy)acetate is CCOP(=O)(OCC)OCOCC(=O)OC.
What is the InChIKey of methyl 2-(diethoxyphosphoryloxymethoxy)acetate?
The InChIKey is BEBJUOAUZUWCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O7P/c1-4-13-16(10,14-5-2)15-7-12-6-8(9)11-3/h4-7H2,1-3H3.
What are the key properties of methyl 2-(diethoxyphosphoryloxymethoxy)acetate?
methyl 2-(diethoxyphosphoryloxymethoxy)acetate has a molecular weight of 256.19 g/mol, XLogP of 1.33, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diethoxyphosphoryloxymethoxy)acetate is sourced from PubChem (CID 141170254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).