tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane

C13H19IN2OSi — CID 66646911

IUPACtert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C13H19IN2OSi/c1-13(2,3)18(4,5)17-9-6-7-11-10(8-9)12(14)16-15-11/h6-8H,1-5H3,(H,15,16)
InChIKeyVAYFASAXLKWTOV-UHFFFAOYSA-N
MW374.30 g/mol
LogP4.55
Rot. Bonds2

About tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane

tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane (PubChem CID 66646911) has the molecular formula C13H19IN2OSi and a molecular weight of 374.30 g/mol. Its IUPAC name is tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane
PubChem CID66646911
Molecular FormulaC13H19IN2OSi
Molecular Weight374.30 g/mol
Exact Mass374.03
IUPAC Nametert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C13H19IN2OSi/c1-13(2,3)18(4,5)17-9-6-7-11-10(8-9)12(14)16-15-11/h6-8H,1-5H3,(H,15,16)
InChIKeyVAYFASAXLKWTOV-UHFFFAOYSA-N
XLogP4.55
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane (CID 66646911) is tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc2n[nH]c(I)c2c1.
What is the InChIKey of tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane?
The InChIKey is VAYFASAXLKWTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2OSi/c1-13(2,3)18(4,5)17-9-6-7-11-10(8-9)12(14)16-15-11/h6-8H,1-5H3,(H,15,16).
What are the key properties of tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane?
tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane has a molecular weight of 374.30 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane is sourced from PubChem (CID 66646911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).