sodium dimethoxymethyl(methyl)phosphinate

C4H10NaO4P — CID 86738487

IUPACsodium dimethoxymethyl(methyl)phosphinate
SMILESCOC(OC)P(C)(=O)[O-].[Na+]
InChIInChI=1S/C4H11O4P.Na/c1-7-4(8-2)9(3,5)6;/h4H,1-3H3,(H,5,6);/q;+1/p-1
InChIKeyUFIWBMKENLZAAA-UHFFFAOYSA-M
MW176.08 g/mol
LogP-3.16
Rot. Bonds3

About sodium dimethoxymethyl(methyl)phosphinate

sodium dimethoxymethyl(methyl)phosphinate (PubChem CID 86738487) has the molecular formula C4H10NaO4P and a molecular weight of 176.08 g/mol. Its IUPAC name is sodium dimethoxymethyl(methyl)phosphinate.

Molecular Properties

Compound Namesodium dimethoxymethyl(methyl)phosphinate
PubChem CID86738487
Molecular FormulaC4H10NaO4P
Molecular Weight176.08 g/mol
Exact Mass176.02
IUPAC Namesodium dimethoxymethyl(methyl)phosphinate
SMILESCOC(OC)P(C)(=O)[O-].[Na+]
InChIInChI=1S/C4H11O4P.Na/c1-7-4(8-2)9(3,5)6;/h4H,1-3H3,(H,5,6);/q;+1/p-1
InChIKeyUFIWBMKENLZAAA-UHFFFAOYSA-M
XLogP-3.16
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 5-3.16
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 sodium dimethoxymethyl(methyl)phosphinate?
The IUPAC name of sodium dimethoxymethyl(methyl)phosphinate (CID 86738487) is sodium dimethoxymethyl(methyl)phosphinate.
What is the SMILES notation for sodium dimethoxymethyl(methyl)phosphinate?
The canonical SMILES for sodium dimethoxymethyl(methyl)phosphinate is COC(OC)P(C)(=O)[O-].[Na+].
What is the InChIKey of sodium dimethoxymethyl(methyl)phosphinate?
The InChIKey is UFIWBMKENLZAAA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11O4P.Na/c1-7-4(8-2)9(3,5)6;/h4H,1-3H3,(H,5,6);/q;+1/p-1.
What are the key properties of sodium dimethoxymethyl(methyl)phosphinate?
sodium dimethoxymethyl(methyl)phosphinate has a molecular weight of 176.08 g/mol, XLogP of -3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium dimethoxymethyl(methyl)phosphinate is sourced from PubChem (CID 86738487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).