tert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane

C26H28ClNOSi — CID 67055442

IUPACtert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane
SMILESCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C26H28ClNOSi/c1-19(25-18-20-17-21(27)15-16-24(20)28-25)29-30(26(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19,28H,1-4H3
InChIKeySCCDEICILWWJQK-UHFFFAOYSA-N
MW434.06 g/mol
LogP6.46
Rot. Bonds5

About tert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane

tert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane (PubChem CID 67055442) has the molecular formula C26H28ClNOSi and a molecular weight of 434.06 g/mol. Its IUPAC name is tert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane
PubChem CID67055442
Molecular FormulaC26H28ClNOSi
Molecular Weight434.06 g/mol
Exact Mass433.16
IUPAC Nametert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane
SMILESCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C26H28ClNOSi/c1-19(25-18-20-17-21(27)15-16-24(20)28-25)29-30(26(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19,28H,1-4H3
InChIKeySCCDEICILWWJQK-UHFFFAOYSA-N
XLogP6.46
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.06
LogP ≤ 56.46
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-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane (CID 67055442) is tert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane is CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of tert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane?
The InChIKey is SCCDEICILWWJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClNOSi/c1-19(25-18-20-17-21(27)15-16-24(20)28-25)29-30(26(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19,28H,1-4H3.
What are the key properties of tert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane?
tert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane has a molecular weight of 434.06 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(5-chloro-1H-indol-2-yl)ethoxy]-diphenylsilane is sourced from PubChem (CID 67055442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).