diethoxymethyl(methyl)phosphinate

C6H14O4P- — CID 21292315

IUPACdiethoxymethyl(methyl)phosphinate
SMILESCCOC(OCC)P(C)(=O)[O-]
InChIInChI=1S/C6H15O4P/c1-4-9-6(10-5-2)11(3,7)8/h6H,4-5H2,1-3H3,(H,7,8)/p-1
InChIKeyNYBFXGDKBKEEBG-UHFFFAOYSA-M
MW181.15 g/mol
LogP0.61
Rot. Bonds5

About diethoxymethyl(methyl)phosphinate

diethoxymethyl(methyl)phosphinate (PubChem CID 21292315) has the molecular formula C6H14O4P- and a molecular weight of 181.15 g/mol. Its IUPAC name is diethoxymethyl(methyl)phosphinate.

Molecular Properties

Compound Namediethoxymethyl(methyl)phosphinate
PubChem CID21292315
Molecular FormulaC6H14O4P-
Molecular Weight181.15 g/mol
Exact Mass181.06
IUPAC Namediethoxymethyl(methyl)phosphinate
SMILESCCOC(OCC)P(C)(=O)[O-]
InChIInChI=1S/C6H15O4P/c1-4-9-6(10-5-2)11(3,7)8/h6H,4-5H2,1-3H3,(H,7,8)/p-1
InChIKeyNYBFXGDKBKEEBG-UHFFFAOYSA-M
XLogP0.61
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxymethyl(methyl)phosphinate?
The IUPAC name of diethoxymethyl(methyl)phosphinate (CID 21292315) is diethoxymethyl(methyl)phosphinate.
What is the SMILES notation for diethoxymethyl(methyl)phosphinate?
The canonical SMILES for diethoxymethyl(methyl)phosphinate is CCOC(OCC)P(C)(=O)[O-].
What is the InChIKey of diethoxymethyl(methyl)phosphinate?
The InChIKey is NYBFXGDKBKEEBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15O4P/c1-4-9-6(10-5-2)11(3,7)8/h6H,4-5H2,1-3H3,(H,7,8)/p-1.
What are the key properties of diethoxymethyl(methyl)phosphinate?
diethoxymethyl(methyl)phosphinate has a molecular weight of 181.15 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethyl(methyl)phosphinate is sourced from PubChem (CID 21292315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).