[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane

C17H28BiNOSi — CID 151937116

IUPAC[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane
SMILESCC(C)(C)[Si](C)(C)OCCCn1ccc2cc([BiH2])ccc21
InChIInChI=1S/C17H26NOSi.Bi.2H/c1-17(2,3)20(4,5)19-14-8-12-18-13-11-15-9-6-7-10-16(15)18;;;/h7,9-11,13H,8,12,14H2,1-5H3;;;
InChIKeyTTWKKEUOSJFDDT-UHFFFAOYSA-N
MW499.48 g/mol
LogP3.31
Rot. Bonds5

About [1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane

[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane (PubChem CID 151937116) has the molecular formula C17H28BiNOSi and a molecular weight of 499.48 g/mol. Its IUPAC name is [1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane.

Molecular Properties

Compound Name[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane
PubChem CID151937116
Molecular FormulaC17H28BiNOSi
Molecular Weight499.48 g/mol
Exact Mass499.17
IUPAC Name[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane
SMILESCC(C)(C)[Si](C)(C)OCCCn1ccc2cc([BiH2])ccc21
InChIInChI=1S/C17H26NOSi.Bi.2H/c1-17(2,3)20(4,5)19-14-8-12-18-13-11-15-9-6-7-10-16(15)18;;;/h7,9-11,13H,8,12,14H2,1-5H3;;;
InChIKeyTTWKKEUOSJFDDT-UHFFFAOYSA-N
XLogP3.31
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl]bismuthane
CID 150452773
4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane
CID 151910538
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate
CID 10496894
tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane
CID 69073629
1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde
CID 169206265
tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane
CID 152675325
1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]imidazo[4,5-c]pyridin-4-amine
CID 141198873
tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane
CID 176655957
5-methoxy-1-(3-phenoxypropyl)indole
CID 110831444
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
2-[1-(3-methoxypropyl)indol-5-yl]ethanamine
CID 102917406
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127

Frequently Asked Questions

What is the IUPAC name of [1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane?
The IUPAC name of [1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane (CID 151937116) is [1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane.
What is the SMILES notation for [1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane?
The canonical SMILES for [1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane is CC(C)(C)[Si](C)(C)OCCCn1ccc2cc([BiH2])ccc21.
What is the InChIKey of [1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane?
The InChIKey is TTWKKEUOSJFDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26NOSi.Bi.2H/c1-17(2,3)20(4,5)19-14-8-12-18-13-11-15-9-6-7-10-16(15)18;;;/h7,9-11,13H,8,12,14H2,1-5H3;;;.
What are the key properties of [1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane?
[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane has a molecular weight of 499.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane is sourced from PubChem (CID 151937116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).