2-trimethylsilylethylphosphonic acid

C5H15O3PSi — CID 23421284

IUPAC2-trimethylsilylethylphosphonic acid
SMILESC[Si](C)(C)CCP(=O)(O)O
InChIInChI=1S/C5H15O3PSi/c1-10(2,3)5-4-9(6,7)8/h4-5H2,1-3H3,(H2,6,7,8)
InChIKeyTWYZOTWUURULIN-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.50
Rot. Bonds3

About 2-trimethylsilylethylphosphonic acid

2-trimethylsilylethylphosphonic acid (PubChem CID 23421284) has the molecular formula C5H15O3PSi and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-trimethylsilylethylphosphonic acid.

Molecular Properties

Compound Name2-trimethylsilylethylphosphonic acid
PubChem CID23421284
Molecular FormulaC5H15O3PSi
Molecular Weight182.23 g/mol
Exact Mass182.05
IUPAC Name2-trimethylsilylethylphosphonic acid
SMILESC[Si](C)(C)CCP(=O)(O)O
InChIInChI=1S/C5H15O3PSi/c1-10(2,3)5-4-9(6,7)8/h4-5H2,1-3H3,(H2,6,7,8)
InChIKeyTWYZOTWUURULIN-UHFFFAOYSA-N
XLogP1.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2-trimethylsilylethylphosphonic acid?
The IUPAC name of 2-trimethylsilylethylphosphonic acid (CID 23421284) is 2-trimethylsilylethylphosphonic acid.
What is the SMILES notation for 2-trimethylsilylethylphosphonic acid?
The canonical SMILES for 2-trimethylsilylethylphosphonic acid is C[Si](C)(C)CCP(=O)(O)O.
What is the InChIKey of 2-trimethylsilylethylphosphonic acid?
The InChIKey is TWYZOTWUURULIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15O3PSi/c1-10(2,3)5-4-9(6,7)8/h4-5H2,1-3H3,(H2,6,7,8).
What are the key properties of 2-trimethylsilylethylphosphonic acid?
2-trimethylsilylethylphosphonic acid has a molecular weight of 182.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethylphosphonic acid is sourced from PubChem (CID 23421284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).