4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane

C18H28BrNOSi — CID 151910538

IUPAC4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCn1ccc2cc(Br)ccc21
InChIInChI=1S/C18H28BrNOSi/c1-18(2,3)22(4,5)21-13-7-6-11-20-12-10-15-14-16(19)8-9-17(15)20/h8-10,12,14H,6-7,11,13H2,1-5H3
InChIKeySURDRLMTPWWPEO-UHFFFAOYSA-N
MW382.42 g/mol
LogP6.21
Rot. Bonds6

About 4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane

4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane (PubChem CID 151910538) has the molecular formula C18H28BrNOSi and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane
PubChem CID151910538
Molecular FormulaC18H28BrNOSi
Molecular Weight382.42 g/mol
Exact Mass381.11
IUPAC Name4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCn1ccc2cc(Br)ccc21
InChIInChI=1S/C18H28BrNOSi/c1-18(2,3)22(4,5)21-13-7-6-11-20-12-10-15-14-16(19)8-9-17(15)20/h8-10,12,14H,6-7,11,13H2,1-5H3
InChIKeySURDRLMTPWWPEO-UHFFFAOYSA-N
XLogP6.21
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 56.21
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-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane
CID 151937116
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl]bismuthane
CID 150452773
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate
CID 10496894
5-bromo-1-[11-methyl-10,10-di(propan-2-yl)dodecyl]indole
CID 152563642
5-(5-bromoindol-1-yl)pentanoic acid
CID 43152065
N-[2-(5-bromoindol-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 55194932
N-[2-(5-bromoindol-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 55087650
5-bromo-1-pent-3-ynylindole
CID 116619720
tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane
CID 69073629
(1-octylindol-5-yl) hypobromite
CID 23151417
(1-hexylindol-5-yl) hypobromite
CID 23151412
bis[(2S)-2-amino-1-(5-bromoindol-1-yl)propan-2-yl] (E)-but-2-enedioate
CID 67737630

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane?
The IUPAC name of 4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane (CID 151910538) is 4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCn1ccc2cc(Br)ccc21.
What is the InChIKey of 4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane?
The InChIKey is SURDRLMTPWWPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNOSi/c1-18(2,3)22(4,5)21-13-7-6-11-20-12-10-15-14-16(19)8-9-17(15)20/h8-10,12,14H,6-7,11,13H2,1-5H3.
What are the key properties of 4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane?
4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane has a molecular weight of 382.42 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 151910538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).