[4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid

C13H23BO3Si — CID 11391464

IUPAC[4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid
SMILESCc1cc(CCO[Si](C)(C)C)c(B(O)O)cc1C
InChIInChI=1S/C13H23BO3Si/c1-10-8-12(6-7-17-18(3,4)5)13(14(15)16)9-11(10)2/h8-9,15-16H,6-7H2,1-5H3
InChIKeyLFTMHSCUJLMOGL-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.38
Rot. Bonds5

About [4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid

[4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid (PubChem CID 11391464) has the molecular formula C13H23BO3Si and a molecular weight of 266.22 g/mol. Its IUPAC name is [4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid
PubChem CID11391464
Molecular FormulaC13H23BO3Si
Molecular Weight266.22 g/mol
Exact Mass266.15
IUPAC Name[4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid
SMILESCc1cc(CCO[Si](C)(C)C)c(B(O)O)cc1C
InChIInChI=1S/C13H23BO3Si/c1-10-8-12(6-7-17-18(3,4)5)13(14(15)16)9-11(10)2/h8-9,15-16H,6-7H2,1-5H3
InChIKeyLFTMHSCUJLMOGL-UHFFFAOYSA-N
XLogP1.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid?
The IUPAC name of [4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid (CID 11391464) is [4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid.
What is the SMILES notation for [4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid?
The canonical SMILES for [4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid is Cc1cc(CCO[Si](C)(C)C)c(B(O)O)cc1C.
What is the InChIKey of [4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid?
The InChIKey is LFTMHSCUJLMOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BO3Si/c1-10-8-12(6-7-17-18(3,4)5)13(14(15)16)9-11(10)2/h8-9,15-16H,6-7H2,1-5H3.
What are the key properties of [4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid?
[4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid has a molecular weight of 266.22 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid is sourced from PubChem (CID 11391464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).