tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane

C19H27ClN4O2Si — CID 170550451

IUPACtert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
SMILESCOc1cc2ccn(-c3cn(CCO[Si](C)(C)C(C)(C)C)nn3)c2cc1Cl
InChIInChI=1S/C19H27ClN4O2Si/c1-19(2,3)27(5,6)26-10-9-23-13-18(21-22-23)24-8-7-14-11-17(25-4)15(20)12-16(14)24/h7-8,11-13H,9-10H2,1-6H3
InChIKeyGPAHPMRBKNGHJU-UHFFFAOYSA-N
MW406.99 g/mol
LogP4.91
Rot. Bonds6

About tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane (PubChem CID 170550451) has the molecular formula C19H27ClN4O2Si and a molecular weight of 406.99 g/mol. Its IUPAC name is tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
PubChem CID170550451
Molecular FormulaC19H27ClN4O2Si
Molecular Weight406.99 g/mol
Exact Mass406.16
IUPAC Nametert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
SMILESCOc1cc2ccn(-c3cn(CCO[Si](C)(C)C(C)(C)C)nn3)c2cc1Cl
InChIInChI=1S/C19H27ClN4O2Si/c1-19(2,3)27(5,6)26-10-9-23-13-18(21-22-23)24-8-7-14-11-17(25-4)15(20)12-16(14)24/h7-8,11-13H,9-10H2,1-6H3
InChIKeyGPAHPMRBKNGHJU-UHFFFAOYSA-N
XLogP4.91
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.99
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane (CID 170550451) is tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane is COc1cc2ccn(-c3cn(CCO[Si](C)(C)C(C)(C)C)nn3)c2cc1Cl.
What is the InChIKey of tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane?
The InChIKey is GPAHPMRBKNGHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O2Si/c1-19(2,3)27(5,6)26-10-9-23-13-18(21-22-23)24-8-7-14-11-17(25-4)15(20)12-16(14)24/h7-8,11-13H,9-10H2,1-6H3.
What are the key properties of tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane has a molecular weight of 406.99 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 170550451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).