2-trimethoxysilylethylphosphonic acid

C5H15O6PSi — CID 19981227

IUPAC2-trimethoxysilylethylphosphonic acid
SMILESCO[Si](CCP(=O)(O)O)(OC)OC
InChIInChI=1S/C5H15O6PSi/c1-9-13(10-2,11-3)5-4-12(6,7)8/h4-5H2,1-3H3,(H2,6,7,8)
InChIKeyFBDVZTRAKUSSKE-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.04
Rot. Bonds6

About 2-trimethoxysilylethylphosphonic acid

2-trimethoxysilylethylphosphonic acid (PubChem CID 19981227) has the molecular formula C5H15O6PSi and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-trimethoxysilylethylphosphonic acid.

Molecular Properties

Compound Name2-trimethoxysilylethylphosphonic acid
PubChem CID19981227
Molecular FormulaC5H15O6PSi
Molecular Weight230.23 g/mol
Exact Mass230.04
IUPAC Name2-trimethoxysilylethylphosphonic acid
SMILESCO[Si](CCP(=O)(O)O)(OC)OC
InChIInChI=1S/C5H15O6PSi/c1-9-13(10-2,11-3)5-4-12(6,7)8/h4-5H2,1-3H3,(H2,6,7,8)
InChIKeyFBDVZTRAKUSSKE-UHFFFAOYSA-N
XLogP0.04
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
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 2-trimethoxysilylethylphosphonic acid?
The IUPAC name of 2-trimethoxysilylethylphosphonic acid (CID 19981227) is 2-trimethoxysilylethylphosphonic acid.
What is the SMILES notation for 2-trimethoxysilylethylphosphonic acid?
The canonical SMILES for 2-trimethoxysilylethylphosphonic acid is CO[Si](CCP(=O)(O)O)(OC)OC.
What is the InChIKey of 2-trimethoxysilylethylphosphonic acid?
The InChIKey is FBDVZTRAKUSSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15O6PSi/c1-9-13(10-2,11-3)5-4-12(6,7)8/h4-5H2,1-3H3,(H2,6,7,8).
What are the key properties of 2-trimethoxysilylethylphosphonic acid?
2-trimethoxysilylethylphosphonic acid has a molecular weight of 230.23 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethoxysilylethylphosphonic acid is sourced from PubChem (CID 19981227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).