4-trihydroxysilylbutylphosphonic acid

C4H13O6PSi — CID 19752066

IUPAC4-trihydroxysilylbutylphosphonic acid
SMILESO=P(O)(O)CCCC[Si](O)(O)O
InChIInChI=1S/C4H13O6PSi/c5-11(6,7)3-1-2-4-12(8,9)10/h8-10H,1-4H2,(H2,5,6,7)
InChIKeyFNSCAVNJPDIARO-UHFFFAOYSA-N
MW216.20 g/mol
LogP-1.14
Rot. Bonds5

About 4-trihydroxysilylbutylphosphonic acid

4-trihydroxysilylbutylphosphonic acid (PubChem CID 19752066) has the molecular formula C4H13O6PSi and a molecular weight of 216.20 g/mol. Its IUPAC name is 4-trihydroxysilylbutylphosphonic acid.

Molecular Properties

Compound Name4-trihydroxysilylbutylphosphonic acid
PubChem CID19752066
Molecular FormulaC4H13O6PSi
Molecular Weight216.20 g/mol
Exact Mass216.02
IUPAC Name4-trihydroxysilylbutylphosphonic acid
SMILESO=P(O)(O)CCCC[Si](O)(O)O
InChIInChI=1S/C4H13O6PSi/c5-11(6,7)3-1-2-4-12(8,9)10/h8-10H,1-4H2,(H2,5,6,7)
InChIKeyFNSCAVNJPDIARO-UHFFFAOYSA-N
XLogP-1.14
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-1.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-trihydroxysilylbutylphosphonic acid?
The IUPAC name of 4-trihydroxysilylbutylphosphonic acid (CID 19752066) is 4-trihydroxysilylbutylphosphonic acid.
What is the SMILES notation for 4-trihydroxysilylbutylphosphonic acid?
The canonical SMILES for 4-trihydroxysilylbutylphosphonic acid is O=P(O)(O)CCCC[Si](O)(O)O.
What is the InChIKey of 4-trihydroxysilylbutylphosphonic acid?
The InChIKey is FNSCAVNJPDIARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13O6PSi/c5-11(6,7)3-1-2-4-12(8,9)10/h8-10H,1-4H2,(H2,5,6,7).
What are the key properties of 4-trihydroxysilylbutylphosphonic acid?
4-trihydroxysilylbutylphosphonic acid has a molecular weight of 216.20 g/mol, XLogP of -1.14, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trihydroxysilylbutylphosphonic acid is sourced from PubChem (CID 19752066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).