(2-formyl-3-trimethylsilylphenyl)boronic acid

C10H15BO3Si — CID 102512881

IUPAC(2-formyl-3-trimethylsilylphenyl)boronic acid
SMILESC[Si](C)(C)c1cccc(B(O)O)c1C=O
InChIInChI=1S/C10H15BO3Si/c1-15(2,3)10-6-4-5-9(11(13)14)8(10)7-12/h4-7,13-14H,1-3H3
InChIKeyJKGLLWPGACREJA-UHFFFAOYSA-N
MW222.13 g/mol
LogP-0.28
Rot. Bonds3

About (2-formyl-3-trimethylsilylphenyl)boronic acid

(2-formyl-3-trimethylsilylphenyl)boronic acid (PubChem CID 102512881) has the molecular formula C10H15BO3Si and a molecular weight of 222.13 g/mol. Its IUPAC name is (2-formyl-3-trimethylsilylphenyl)boronic acid.

Molecular Properties

Compound Name(2-formyl-3-trimethylsilylphenyl)boronic acid
PubChem CID102512881
Molecular FormulaC10H15BO3Si
Molecular Weight222.13 g/mol
Exact Mass222.09
IUPAC Name(2-formyl-3-trimethylsilylphenyl)boronic acid
SMILESC[Si](C)(C)c1cccc(B(O)O)c1C=O
InChIInChI=1S/C10H15BO3Si/c1-15(2,3)10-6-4-5-9(11(13)14)8(10)7-12/h4-7,13-14H,1-3H3
InChIKeyJKGLLWPGACREJA-UHFFFAOYSA-N
XLogP-0.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-formyl-3-trimethylsilylphenyl)boronic acid?
The IUPAC name of (2-formyl-3-trimethylsilylphenyl)boronic acid (CID 102512881) is (2-formyl-3-trimethylsilylphenyl)boronic acid.
What is the SMILES notation for (2-formyl-3-trimethylsilylphenyl)boronic acid?
The canonical SMILES for (2-formyl-3-trimethylsilylphenyl)boronic acid is C[Si](C)(C)c1cccc(B(O)O)c1C=O.
What is the InChIKey of (2-formyl-3-trimethylsilylphenyl)boronic acid?
The InChIKey is JKGLLWPGACREJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO3Si/c1-15(2,3)10-6-4-5-9(11(13)14)8(10)7-12/h4-7,13-14H,1-3H3.
What are the key properties of (2-formyl-3-trimethylsilylphenyl)boronic acid?
(2-formyl-3-trimethylsilylphenyl)boronic acid has a molecular weight of 222.13 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-3-trimethylsilylphenyl)boronic acid is sourced from PubChem (CID 102512881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).