[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid

C16H23BO3Si — CID 3756084

IUPAC[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2cc(B(O)O)ccc2c1
InChIInChI=1S/C16H23BO3Si/c1-16(2,3)21(4,5)20-15-9-7-12-10-14(17(18)19)8-6-13(12)11-15/h6-11,18-19H,1-5H3
InChIKeyQJXUSWJSQVIBCP-UHFFFAOYSA-N
MW302.26 g/mol
LogP2.90
Rot. Bonds3

About [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid

[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid (PubChem CID 3756084) has the molecular formula C16H23BO3Si and a molecular weight of 302.26 g/mol. Its IUPAC name is [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid.

Molecular Properties

Compound Name[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid
PubChem CID3756084
Molecular FormulaC16H23BO3Si
Molecular Weight302.26 g/mol
Exact Mass302.15
IUPAC Name[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2cc(B(O)O)ccc2c1
InChIInChI=1S/C16H23BO3Si/c1-16(2,3)21(4,5)20-15-9-7-12-10-14(17(18)19)8-6-13(12)11-15/h6-11,18-19H,1-5H3
InChIKeyQJXUSWJSQVIBCP-UHFFFAOYSA-N
XLogP2.90
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 52.90
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 [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid?
The IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid (CID 3756084) is [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid.
What is the SMILES notation for [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid?
The canonical SMILES for [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid is CC(C)(C)[Si](C)(C)Oc1ccc2cc(B(O)O)ccc2c1.
What is the InChIKey of [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid?
The InChIKey is QJXUSWJSQVIBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BO3Si/c1-16(2,3)21(4,5)20-15-9-7-12-10-14(17(18)19)8-6-13(12)11-15/h6-11,18-19H,1-5H3.
What are the key properties of [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid?
[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid has a molecular weight of 302.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid is sourced from PubChem (CID 3756084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).