tert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane

C18H28ClNOSi — CID 11221421

IUPACtert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane
SMILESCc1c(CCO[Si](C)(C)C(C)(C)C)c2cc(Cl)ccc2n1C
InChIInChI=1S/C18H28ClNOSi/c1-13-15(10-11-21-22(6,7)18(2,3)4)16-12-14(19)8-9-17(16)20(13)5/h8-9,12H,10-11H2,1-7H3
InChIKeyLAYNDXHXXVNTKK-UHFFFAOYSA-N
MW337.97 g/mol
LogP5.70
Rot. Bonds4

About tert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane

tert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane (PubChem CID 11221421) has the molecular formula C18H28ClNOSi and a molecular weight of 337.97 g/mol. Its IUPAC name is tert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane
PubChem CID11221421
Molecular FormulaC18H28ClNOSi
Molecular Weight337.97 g/mol
Exact Mass337.16
IUPAC Nametert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane
SMILESCc1c(CCO[Si](C)(C)C(C)(C)C)c2cc(Cl)ccc2n1C
InChIInChI=1S/C18H28ClNOSi/c1-13-15(10-11-21-22(6,7)18(2,3)4)16-12-14(19)8-9-17(16)20(13)5/h8-9,12H,10-11H2,1-7H3
InChIKeyLAYNDXHXXVNTKK-UHFFFAOYSA-N
XLogP5.70
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.97
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane (CID 11221421) is tert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane is Cc1c(CCO[Si](C)(C)C(C)(C)C)c2cc(Cl)ccc2n1C.
What is the InChIKey of tert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane?
The InChIKey is LAYNDXHXXVNTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNOSi/c1-13-15(10-11-21-22(6,7)18(2,3)4)16-12-14(19)8-9-17(16)20(13)5/h8-9,12H,10-11H2,1-7H3.
What are the key properties of tert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane?
tert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane has a molecular weight of 337.97 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(5-chloro-1,2-dimethylindol-3-yl)ethoxy]-dimethylsilane is sourced from PubChem (CID 11221421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).