1-trihydroxysilylethylphosphonic acid

C2H9O6PSi — CID 19757633

IUPAC1-trihydroxysilylethylphosphonic acid
SMILESCC([Si](O)(O)O)P(=O)(O)O
InChIInChI=1S/C2H9O6PSi/c1-2(9(3,4)5)10(6,7)8/h2,6-8H,1H3,(H2,3,4,5)
InChIKeyBAZLIGBAGXQGPU-UHFFFAOYSA-N
MW188.15 g/mol
LogP-1.99
Rot. Bonds2

About 1-trihydroxysilylethylphosphonic acid

1-trihydroxysilylethylphosphonic acid (PubChem CID 19757633) has the molecular formula C2H9O6PSi and a molecular weight of 188.15 g/mol. Its IUPAC name is 1-trihydroxysilylethylphosphonic acid.

Molecular Properties

Compound Name1-trihydroxysilylethylphosphonic acid
PubChem CID19757633
Molecular FormulaC2H9O6PSi
Molecular Weight188.15 g/mol
Exact Mass187.99
IUPAC Name1-trihydroxysilylethylphosphonic acid
SMILESCC([Si](O)(O)O)P(=O)(O)O
InChIInChI=1S/C2H9O6PSi/c1-2(9(3,4)5)10(6,7)8/h2,6-8H,1H3,(H2,3,4,5)
InChIKeyBAZLIGBAGXQGPU-UHFFFAOYSA-N
XLogP-1.99
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 5-1.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-trihydroxysilylethylphosphonic acid?
The IUPAC name of 1-trihydroxysilylethylphosphonic acid (CID 19757633) is 1-trihydroxysilylethylphosphonic acid.
What is the SMILES notation for 1-trihydroxysilylethylphosphonic acid?
The canonical SMILES for 1-trihydroxysilylethylphosphonic acid is CC([Si](O)(O)O)P(=O)(O)O.
What is the InChIKey of 1-trihydroxysilylethylphosphonic acid?
The InChIKey is BAZLIGBAGXQGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9O6PSi/c1-2(9(3,4)5)10(6,7)8/h2,6-8H,1H3,(H2,3,4,5).
What are the key properties of 1-trihydroxysilylethylphosphonic acid?
1-trihydroxysilylethylphosphonic acid has a molecular weight of 188.15 g/mol, XLogP of -1.99, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trihydroxysilylethylphosphonic acid is sourced from PubChem (CID 19757633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).