tert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane

C14H20ClNOSi — CID 165353082

IUPACtert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2[nH]ccc2c1Cl
InChIInChI=1S/C14H20ClNOSi/c1-14(2,3)18(4,5)17-12-7-6-11-10(13(12)15)8-9-16-11/h6-9,16H,1-5H3
InChIKeyOSJIWVVEJYGAQO-UHFFFAOYSA-N
MW281.86 g/mol
LogP5.21
Rot. Bonds2

About tert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane

tert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane (PubChem CID 165353082) has the molecular formula C14H20ClNOSi and a molecular weight of 281.86 g/mol. Its IUPAC name is tert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane
PubChem CID165353082
Molecular FormulaC14H20ClNOSi
Molecular Weight281.86 g/mol
Exact Mass281.10
IUPAC Nametert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2[nH]ccc2c1Cl
InChIInChI=1S/C14H20ClNOSi/c1-14(2,3)18(4,5)17-12-7-6-11-10(13(12)15)8-9-16-11/h6-9,16H,1-5H3
InChIKeyOSJIWVVEJYGAQO-UHFFFAOYSA-N
XLogP5.21
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.86
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane (CID 165353082) is tert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc2[nH]ccc2c1Cl.
What is the InChIKey of tert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane?
The InChIKey is OSJIWVVEJYGAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOSi/c1-14(2,3)18(4,5)17-12-7-6-11-10(13(12)15)8-9-16-11/h6-9,16H,1-5H3.
What are the key properties of tert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane?
tert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane has a molecular weight of 281.86 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane is sourced from PubChem (CID 165353082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).