[1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid

C14H22BNO2Si — CID 22352397

IUPAC[1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid
SMILESCC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)cccc21
InChIInChI=1S/C14H22BNO2Si/c1-14(2,3)19(4,5)16-10-9-11-12(15(17)18)7-6-8-13(11)16/h6-10,17-18H,1-5H3
InChIKeyPTZKCFPZTHUQTI-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.17
Rot. Bonds2

About [1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid

[1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid (PubChem CID 22352397) has the molecular formula C14H22BNO2Si and a molecular weight of 275.23 g/mol. Its IUPAC name is [1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid.

Molecular Properties

Compound Name[1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid
PubChem CID22352397
Molecular FormulaC14H22BNO2Si
Molecular Weight275.23 g/mol
Exact Mass275.15
IUPAC Name[1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid
SMILESCC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)cccc21
InChIInChI=1S/C14H22BNO2Si/c1-14(2,3)19(4,5)16-10-9-11-12(15(17)18)7-6-8-13(11)16/h6-10,17-18H,1-5H3
InChIKeyPTZKCFPZTHUQTI-UHFFFAOYSA-N
XLogP2.17
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.17
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 [1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid?
The IUPAC name of [1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid (CID 22352397) is [1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid.
What is the SMILES notation for [1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid?
The canonical SMILES for [1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid is CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)cccc21.
What is the InChIKey of [1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid?
The InChIKey is PTZKCFPZTHUQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BNO2Si/c1-14(2,3)19(4,5)16-10-9-11-12(15(17)18)7-6-8-13(11)16/h6-10,17-18H,1-5H3.
What are the key properties of [1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid?
[1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid has a molecular weight of 275.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid is sourced from PubChem (CID 22352397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).