1-silyloxyethylphosphonic acid

C2H9O4PSi — CID 173192117

IUPAC1-silyloxyethylphosphonic acid
SMILESCC(O[SiH3])P(=O)(O)O
InChIInChI=1S/C2H9O4PSi/c1-2(6-8)7(3,4)5/h2H,1,8H3,(H2,3,4,5)
InChIKeyOOCTXLJCFNWJPP-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.19
Rot. Bonds2

About 1-silyloxyethylphosphonic acid

1-silyloxyethylphosphonic acid (PubChem CID 173192117) has the molecular formula C2H9O4PSi and a molecular weight of 156.15 g/mol. Its IUPAC name is 1-silyloxyethylphosphonic acid.

Molecular Properties

Compound Name1-silyloxyethylphosphonic acid
PubChem CID173192117
Molecular FormulaC2H9O4PSi
Molecular Weight156.15 g/mol
Exact Mass156.00
IUPAC Name1-silyloxyethylphosphonic acid
SMILESCC(O[SiH3])P(=O)(O)O
InChIInChI=1S/C2H9O4PSi/c1-2(6-8)7(3,4)5/h2H,1,8H3,(H2,3,4,5)
InChIKeyOOCTXLJCFNWJPP-UHFFFAOYSA-N
XLogP-1.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-formyloxyethylphosphonic acid
CID 174693537
2-(1-phosphonoethoxy)propanoic acid
CID 146452583
1-[(E)-2-methylbut-2-enoyl]oxyethylphosphonic acid
CID 142670732
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
bis(propan-2-ylsulfanyl)phosphinic acid
CID 12518112
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
[methoxy(phosphono)methyl]phosphonic acid
CID 12578053
dimethyl(silyloxy)silane;phosphoric acid
CID 173241778
1-phenylmethoxyethylphosphonic acid
CID 174787824
propan-2-ylperoxyphosphonamidic acid
CID 90013406
1-phosphonopropan-2-ylphosphonic acid
CID 22023450

Frequently Asked Questions

What is the IUPAC name of 1-silyloxyethylphosphonic acid?
The IUPAC name of 1-silyloxyethylphosphonic acid (CID 173192117) is 1-silyloxyethylphosphonic acid.
What is the SMILES notation for 1-silyloxyethylphosphonic acid?
The canonical SMILES for 1-silyloxyethylphosphonic acid is CC(O[SiH3])P(=O)(O)O.
What is the InChIKey of 1-silyloxyethylphosphonic acid?
The InChIKey is OOCTXLJCFNWJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9O4PSi/c1-2(6-8)7(3,4)5/h2H,1,8H3,(H2,3,4,5).
What are the key properties of 1-silyloxyethylphosphonic acid?
1-silyloxyethylphosphonic acid has a molecular weight of 156.15 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-silyloxyethylphosphonic acid is sourced from PubChem (CID 173192117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).