[(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane

C17H25BrN2OSi — CID 46177207

IUPAC[(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC/C(=C/Br)n1ncc2ccccc21
InChIInChI=1S/C17H25BrN2OSi/c1-17(2,3)22(4,5)21-11-10-15(12-18)20-16-9-7-6-8-14(16)13-19-20/h6-9,12-13H,10-11H2,1-5H3/b15-12-
InChIKeyYVRZKPCJRAJAMD-QINSGFPZSA-N
MW381.39 g/mol
LogP5.64
Rot. Bonds5

About [(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane

[(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane (PubChem CID 46177207) has the molecular formula C17H25BrN2OSi and a molecular weight of 381.39 g/mol. Its IUPAC name is [(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane
PubChem CID46177207
Molecular FormulaC17H25BrN2OSi
Molecular Weight381.39 g/mol
Exact Mass380.09
IUPAC Name[(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC/C(=C/Br)n1ncc2ccccc21
InChIInChI=1S/C17H25BrN2OSi/c1-17(2,3)22(4,5)21-11-10-15(12-18)20-16-9-7-6-8-14(16)13-19-20/h6-9,12-13H,10-11H2,1-5H3/b15-12-
InChIKeyYVRZKPCJRAJAMD-QINSGFPZSA-N
XLogP5.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.39
LogP ≤ 55.64
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 [(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane (CID 46177207) is [(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC/C(=C/Br)n1ncc2ccccc21.
What is the InChIKey of [(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is YVRZKPCJRAJAMD-QINSGFPZSA-N. The full InChI is InChI=1S/C17H25BrN2OSi/c1-17(2,3)22(4,5)21-11-10-15(12-18)20-16-9-7-6-8-14(16)13-19-20/h6-9,12-13H,10-11H2,1-5H3/b15-12-.
What are the key properties of [(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane?
[(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 381.39 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-bromo-3-indazol-1-ylbut-3-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 46177207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).