dimethoxymethyl(methyl)phosphinic acid

C4H11O4P — CID 21292313

IUPACdimethoxymethyl(methyl)phosphinic acid
SMILESCOC(OC)P(C)(=O)O
InChIInChI=1S/C4H11O4P/c1-7-4(8-2)9(3,5)6/h4H,1-3H3,(H,5,6)
InChIKeyFJSQXBQRAHKXED-UHFFFAOYSA-N
MW154.10 g/mol
LogP0.46
Rot. Bonds3

About dimethoxymethyl(methyl)phosphinic acid

dimethoxymethyl(methyl)phosphinic acid (PubChem CID 21292313) has the molecular formula C4H11O4P and a molecular weight of 154.10 g/mol. Its IUPAC name is dimethoxymethyl(methyl)phosphinic acid.

Molecular Properties

Compound Namedimethoxymethyl(methyl)phosphinic acid
PubChem CID21292313
Molecular FormulaC4H11O4P
Molecular Weight154.10 g/mol
Exact Mass154.04
IUPAC Namedimethoxymethyl(methyl)phosphinic acid
SMILESCOC(OC)P(C)(=O)O
InChIInChI=1S/C4H11O4P/c1-7-4(8-2)9(3,5)6/h4H,1-3H3,(H,5,6)
InChIKeyFJSQXBQRAHKXED-UHFFFAOYSA-N
XLogP0.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 dimethoxymethyl(methyl)phosphinic acid?
The IUPAC name of dimethoxymethyl(methyl)phosphinic acid (CID 21292313) is dimethoxymethyl(methyl)phosphinic acid.
What is the SMILES notation for dimethoxymethyl(methyl)phosphinic acid?
The canonical SMILES for dimethoxymethyl(methyl)phosphinic acid is COC(OC)P(C)(=O)O.
What is the InChIKey of dimethoxymethyl(methyl)phosphinic acid?
The InChIKey is FJSQXBQRAHKXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P/c1-7-4(8-2)9(3,5)6/h4H,1-3H3,(H,5,6).
What are the key properties of dimethoxymethyl(methyl)phosphinic acid?
dimethoxymethyl(methyl)phosphinic acid has a molecular weight of 154.10 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethyl(methyl)phosphinic acid is sourced from PubChem (CID 21292313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).