phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid

C12H21BO4Si — CID 141056027

IUPACphenyl(2-trimethylsilylethoxymethylperoxy)borinic acid
SMILESC[Si](C)(C)CCOCOOB(O)c1ccccc1
InChIInChI=1S/C12H21BO4Si/c1-18(2,3)10-9-15-11-16-17-13(14)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3
InChIKeyTWCBZGOIMFOXHN-UHFFFAOYSA-N
MW268.19 g/mol
LogP1.63
Rot. Bonds8

About phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid

phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid (PubChem CID 141056027) has the molecular formula C12H21BO4Si and a molecular weight of 268.19 g/mol. Its IUPAC name is phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid.

Molecular Properties

Compound Namephenyl(2-trimethylsilylethoxymethylperoxy)borinic acid
PubChem CID141056027
Molecular FormulaC12H21BO4Si
Molecular Weight268.19 g/mol
Exact Mass268.13
IUPAC Namephenyl(2-trimethylsilylethoxymethylperoxy)borinic acid
SMILESC[Si](C)(C)CCOCOOB(O)c1ccccc1
InChIInChI=1S/C12H21BO4Si/c1-18(2,3)10-9-15-11-16-17-13(14)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3
InChIKeyTWCBZGOIMFOXHN-UHFFFAOYSA-N
XLogP1.63
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid?
The IUPAC name of phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid (CID 141056027) is phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid.
What is the SMILES notation for phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid?
The canonical SMILES for phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid is C[Si](C)(C)CCOCOOB(O)c1ccccc1.
What is the InChIKey of phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid?
The InChIKey is TWCBZGOIMFOXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BO4Si/c1-18(2,3)10-9-15-11-16-17-13(14)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3.
What are the key properties of phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid?
phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid has a molecular weight of 268.19 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid is sourced from PubChem (CID 141056027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).