tert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane

C17H27NOSSi — CID 139789073

IUPACtert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane
SMILESCSc1ccc2[nH]c(CCO[Si](C)(C)C(C)(C)C)cc2c1
InChIInChI=1S/C17H27NOSSi/c1-17(2,3)21(5,6)19-10-9-14-11-13-12-15(20-4)7-8-16(13)18-14/h7-8,11-12,18H,9-10H2,1-6H3
InChIKeyZVUFCDYRCQVZAO-UHFFFAOYSA-N
MW321.56 g/mol
LogP5.45
Rot. Bonds5

About tert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane

tert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane (PubChem CID 139789073) has the molecular formula C17H27NOSSi and a molecular weight of 321.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane
PubChem CID139789073
Molecular FormulaC17H27NOSSi
Molecular Weight321.56 g/mol
Exact Mass321.16
IUPAC Nametert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane
SMILESCSc1ccc2[nH]c(CCO[Si](C)(C)C(C)(C)C)cc2c1
InChIInChI=1S/C17H27NOSSi/c1-17(2,3)21(5,6)19-10-9-14-11-13-12-15(20-4)7-8-16(13)18-14/h7-8,11-12,18H,9-10H2,1-6H3
InChIKeyZVUFCDYRCQVZAO-UHFFFAOYSA-N
XLogP5.45
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.56
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane
CID 71285327
tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate
CID 175890610
(5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 154639223
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid
CID 70285360
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217
[2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 102215591
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
2-(3-bromophenyl)ethoxy-tert-butyl-dimethylsilane
CID 11515183
methyl 5-methylsulfanyl-1H-indole-2-carboxylate
CID 145163605

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane (CID 139789073) is tert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane is CSc1ccc2[nH]c(CCO[Si](C)(C)C(C)(C)C)cc2c1.
What is the InChIKey of tert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane?
The InChIKey is ZVUFCDYRCQVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOSSi/c1-17(2,3)21(5,6)19-10-9-14-11-13-12-15(20-4)7-8-16(13)18-14/h7-8,11-12,18H,9-10H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane?
tert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane has a molecular weight of 321.56 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane is sourced from PubChem (CID 139789073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).