2-trimethylsilylpropan-2-ylphosphonic acid

C6H17O3PSi — CID 18764346

IUPAC2-trimethylsilylpropan-2-ylphosphonic acid
SMILESCC(C)([Si](C)(C)C)P(=O)(O)O
InChIInChI=1S/C6H17O3PSi/c1-6(2,10(7,8)9)11(3,4)5/h1-5H3,(H2,7,8,9)
InChIKeyXRVGJYWXCLLGGD-UHFFFAOYSA-N
MW196.26 g/mol
LogP1.82
Rot. Bonds2

About 2-trimethylsilylpropan-2-ylphosphonic acid

2-trimethylsilylpropan-2-ylphosphonic acid (PubChem CID 18764346) has the molecular formula C6H17O3PSi and a molecular weight of 196.26 g/mol. Its IUPAC name is 2-trimethylsilylpropan-2-ylphosphonic acid.

Molecular Properties

Compound Name2-trimethylsilylpropan-2-ylphosphonic acid
PubChem CID18764346
Molecular FormulaC6H17O3PSi
Molecular Weight196.26 g/mol
Exact Mass196.07
IUPAC Name2-trimethylsilylpropan-2-ylphosphonic acid
SMILESCC(C)([Si](C)(C)C)P(=O)(O)O
InChIInChI=1S/C6H17O3PSi/c1-6(2,10(7,8)9)11(3,4)5/h1-5H3,(H2,7,8,9)
InChIKeyXRVGJYWXCLLGGD-UHFFFAOYSA-N
XLogP1.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 51.82
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-trimethylsilylpropan-2-ylphosphonic acid?
The IUPAC name of 2-trimethylsilylpropan-2-ylphosphonic acid (CID 18764346) is 2-trimethylsilylpropan-2-ylphosphonic acid.
What is the SMILES notation for 2-trimethylsilylpropan-2-ylphosphonic acid?
The canonical SMILES for 2-trimethylsilylpropan-2-ylphosphonic acid is CC(C)([Si](C)(C)C)P(=O)(O)O.
What is the InChIKey of 2-trimethylsilylpropan-2-ylphosphonic acid?
The InChIKey is XRVGJYWXCLLGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17O3PSi/c1-6(2,10(7,8)9)11(3,4)5/h1-5H3,(H2,7,8,9).
What are the key properties of 2-trimethylsilylpropan-2-ylphosphonic acid?
2-trimethylsilylpropan-2-ylphosphonic acid has a molecular weight of 196.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylpropan-2-ylphosphonic acid is sourced from PubChem (CID 18764346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).