ethoxy-methyl-oxophosphanium;methane;methylphosphonic acid

C5H17O5P2+ — CID 157055742

IUPACethoxy-methyl-oxophosphanium;methane;methylphosphonic acid
SMILESC.CCO[P+](C)=O.CP(=O)(O)O
InChIInChI=1S/C3H8O2P.CH5O3P.CH4/c1-3-5-6(2)4;1-5(2,3)4;/h3H2,1-2H3;1H3,(H2,2,3,4);1H4/q+1;;
InChIKeyWNFBYHLCAKAIQL-UHFFFAOYSA-N
MW219.13 g/mol
LogP1.83
Rot. Bonds2

About ethoxy-methyl-oxophosphanium;methane;methylphosphonic acid

ethoxy-methyl-oxophosphanium;methane;methylphosphonic acid (PubChem CID 157055742) has the molecular formula C5H17O5P2+ and a molecular weight of 219.13 g/mol. Its IUPAC name is ethoxy-methyl-oxophosphanium;methane;methylphosphonic acid.

Molecular Properties

Compound Nameethoxy-methyl-oxophosphanium;methane;methylphosphonic acid
PubChem CID157055742
Molecular FormulaC5H17O5P2+
Molecular Weight219.13 g/mol
Exact Mass219.05
IUPAC Nameethoxy-methyl-oxophosphanium;methane;methylphosphonic acid
SMILESC.CCO[P+](C)=O.CP(=O)(O)O
InChIInChI=1S/C3H8O2P.CH5O3P.CH4/c1-3-5-6(2)4;1-5(2,3)4;/h3H2,1-2H3;1H3,(H2,2,3,4);1H4/q+1;;
InChIKeyWNFBYHLCAKAIQL-UHFFFAOYSA-N
XLogP1.83
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;ethoxy-methyl-oxophosphanium;hydride
CID 175193862
methylphosphonic acid;dihydrochloride
CID 87344491
ethane-1,2-diamine;methylphosphonic acid
CID 19349473
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
CID 6368648
CID 6368648
ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide
CID 175282651
ethoxy-oxo-(3-phosphonopropoxy)phosphanium
CID 88773935
CID 157268042
CID 157268042
aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080
ethoxy-hydroperoxy-oxophosphanium
CID 87891677
methylphosphonic acid;uranium
CID 174844261
sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride
CID 173290588

Frequently Asked Questions

What is the IUPAC name of ethoxy-methyl-oxophosphanium;methane;methylphosphonic acid?
The IUPAC name of ethoxy-methyl-oxophosphanium;methane;methylphosphonic acid (CID 157055742) is ethoxy-methyl-oxophosphanium;methane;methylphosphonic acid.
What is the SMILES notation for ethoxy-methyl-oxophosphanium;methane;methylphosphonic acid?
The canonical SMILES for ethoxy-methyl-oxophosphanium;methane;methylphosphonic acid is C.CCO[P+](C)=O.CP(=O)(O)O.
What is the InChIKey of ethoxy-methyl-oxophosphanium;methane;methylphosphonic acid?
The InChIKey is WNFBYHLCAKAIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2P.CH5O3P.CH4/c1-3-5-6(2)4;1-5(2,3)4;/h3H2,1-2H3;1H3,(H2,2,3,4);1H4/q+1;;.
What are the key properties of ethoxy-methyl-oxophosphanium;methane;methylphosphonic acid?
ethoxy-methyl-oxophosphanium;methane;methylphosphonic acid has a molecular weight of 219.13 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methyl-oxophosphanium;methane;methylphosphonic acid is sourced from PubChem (CID 157055742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).