[6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid

C19H21BO2Si — CID 142699769

IUPAC[6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid
SMILESC[Si](C)(C)c1ccc(-c2ccc3cc(B(O)O)ccc3c2)cc1
InChIInChI=1S/C19H21BO2Si/c1-23(2,3)19-10-7-14(8-11-19)15-4-5-17-13-18(20(21)22)9-6-16(17)12-15/h4-13,21-22H,1-3H3
InChIKeyWRZFAGLUWGJBMS-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.73
Rot. Bonds3

About [6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid

[6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid (PubChem CID 142699769) has the molecular formula C19H21BO2Si and a molecular weight of 320.27 g/mol. Its IUPAC name is [6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid.

Molecular Properties

Compound Name[6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid
PubChem CID142699769
Molecular FormulaC19H21BO2Si
Molecular Weight320.27 g/mol
Exact Mass320.14
IUPAC Name[6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid
SMILESC[Si](C)(C)c1ccc(-c2ccc3cc(B(O)O)ccc3c2)cc1
InChIInChI=1S/C19H21BO2Si/c1-23(2,3)19-10-7-14(8-11-19)15-4-5-17-13-18(20(21)22)9-6-16(17)12-15/h4-13,21-22H,1-3H3
InChIKeyWRZFAGLUWGJBMS-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid?
The IUPAC name of [6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid (CID 142699769) is [6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid.
What is the SMILES notation for [6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid?
The canonical SMILES for [6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid is C[Si](C)(C)c1ccc(-c2ccc3cc(B(O)O)ccc3c2)cc1.
What is the InChIKey of [6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid?
The InChIKey is WRZFAGLUWGJBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BO2Si/c1-23(2,3)19-10-7-14(8-11-19)15-4-5-17-13-18(20(21)22)9-6-16(17)12-15/h4-13,21-22H,1-3H3.
What are the key properties of [6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid?
[6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid has a molecular weight of 320.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid is sourced from PubChem (CID 142699769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).