2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane

C15H23BrN2OSi — CID 169069472

IUPAC2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1ncc2c(Br)cccc21
InChIInChI=1S/C15H23BrN2OSi/c1-15(2,3)20(4,5)19-10-9-18-14-8-6-7-13(16)12(14)11-17-18/h6-8,11H,9-10H2,1-5H3
InChIKeyMNHWIMXJUDBBBO-UHFFFAOYSA-N
MW355.35 g/mol
LogP4.82
Rot. Bonds4

About 2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane

2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane (PubChem CID 169069472) has the molecular formula C15H23BrN2OSi and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane
PubChem CID169069472
Molecular FormulaC15H23BrN2OSi
Molecular Weight355.35 g/mol
Exact Mass354.08
IUPAC Name2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1ncc2c(Br)cccc21
InChIInChI=1S/C15H23BrN2OSi/c1-15(2,3)20(4,5)19-10-9-18-14-8-6-7-13(16)12(14)11-17-18/h6-8,11H,9-10H2,1-5H3
InChIKeyMNHWIMXJUDBBBO-UHFFFAOYSA-N
XLogP4.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 54.82
H-Bond Donors ≤ 50
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 2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane (CID 169069472) is 2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCn1ncc2c(Br)cccc21.
What is the InChIKey of 2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane?
The InChIKey is MNHWIMXJUDBBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OSi/c1-15(2,3)20(4,5)19-10-9-18-14-8-6-7-13(16)12(14)11-17-18/h6-8,11H,9-10H2,1-5H3.
What are the key properties of 2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane?
2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane has a molecular weight of 355.35 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 169069472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).