3-[hydroxy(dimethyl)silyl]propylphosphonic acid

C5H15O4PSi — CID 71340089

IUPAC3-[hydroxy(dimethyl)silyl]propylphosphonic acid
SMILESC[Si](C)(O)CCCP(=O)(O)O
InChIInChI=1S/C5H15O4PSi/c1-11(2,9)5-3-4-10(6,7)8/h9H,3-5H2,1-2H3,(H2,6,7,8)
InChIKeyWXBQXXKZQHXMMG-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.75
Rot. Bonds4

About 3-[hydroxy(dimethyl)silyl]propylphosphonic acid

3-[hydroxy(dimethyl)silyl]propylphosphonic acid (PubChem CID 71340089) has the molecular formula C5H15O4PSi and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-[hydroxy(dimethyl)silyl]propylphosphonic acid.

Molecular Properties

Compound Name3-[hydroxy(dimethyl)silyl]propylphosphonic acid
PubChem CID71340089
Molecular FormulaC5H15O4PSi
Molecular Weight198.23 g/mol
Exact Mass198.05
IUPAC Name3-[hydroxy(dimethyl)silyl]propylphosphonic acid
SMILESC[Si](C)(O)CCCP(=O)(O)O
InChIInChI=1S/C5H15O4PSi/c1-11(2,9)5-3-4-10(6,7)8/h9H,3-5H2,1-2H3,(H2,6,7,8)
InChIKeyWXBQXXKZQHXMMG-UHFFFAOYSA-N
XLogP0.75
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.75
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(dimethyl)silyl]propylphosphonic acid?
The IUPAC name of 3-[hydroxy(dimethyl)silyl]propylphosphonic acid (CID 71340089) is 3-[hydroxy(dimethyl)silyl]propylphosphonic acid.
What is the SMILES notation for 3-[hydroxy(dimethyl)silyl]propylphosphonic acid?
The canonical SMILES for 3-[hydroxy(dimethyl)silyl]propylphosphonic acid is C[Si](C)(O)CCCP(=O)(O)O.
What is the InChIKey of 3-[hydroxy(dimethyl)silyl]propylphosphonic acid?
The InChIKey is WXBQXXKZQHXMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15O4PSi/c1-11(2,9)5-3-4-10(6,7)8/h9H,3-5H2,1-2H3,(H2,6,7,8).
What are the key properties of 3-[hydroxy(dimethyl)silyl]propylphosphonic acid?
3-[hydroxy(dimethyl)silyl]propylphosphonic acid has a molecular weight of 198.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(dimethyl)silyl]propylphosphonic acid is sourced from PubChem (CID 71340089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).