2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane

C16H24BrNOSi — CID 71285327

IUPAC2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C16H24BrNOSi/c1-16(2,3)20(4,5)19-9-8-14-11-12-10-13(17)6-7-15(12)18-14/h6-7,10-11,18H,8-9H2,1-5H3
InChIKeyONUGXXHJSIJCRG-UHFFFAOYSA-N
MW354.36 g/mol
LogP5.49
Rot. Bonds4

About 2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane

2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane (PubChem CID 71285327) has the molecular formula C16H24BrNOSi and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane
PubChem CID71285327
Molecular FormulaC16H24BrNOSi
Molecular Weight354.36 g/mol
Exact Mass353.08
IUPAC Name2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C16H24BrNOSi/c1-16(2,3)20(4,5)19-9-8-14-11-12-10-13(17)6-7-15(12)18-14/h6-7,10-11,18H,8-9H2,1-5H3
InChIKeyONUGXXHJSIJCRG-UHFFFAOYSA-N
XLogP5.49
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.36
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane (CID 71285327) is 2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCc1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane?
The InChIKey is ONUGXXHJSIJCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNOSi/c1-16(2,3)20(4,5)19-9-8-14-11-12-10-13(17)6-7-15(12)18-14/h6-7,10-11,18H,8-9H2,1-5H3.
What are the key properties of 2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane?
2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane has a molecular weight of 354.36 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 71285327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).