3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane

C18H28BrNOSi — CID 102042705

IUPAC3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane
SMILESCc1[nH]c2cc(Br)ccc2c1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28BrNOSi/c1-13-15(16-10-9-14(19)12-17(16)20-13)8-7-11-21-22(5,6)18(2,3)4/h9-10,12,20H,7-8,11H2,1-6H3
InChIKeyNCGZQJRCAXGMKP-UHFFFAOYSA-N
MW382.42 g/mol
LogP6.19
Rot. Bonds5

About 3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane

3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane (PubChem CID 102042705) has the molecular formula C18H28BrNOSi and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane
PubChem CID102042705
Molecular FormulaC18H28BrNOSi
Molecular Weight382.42 g/mol
Exact Mass381.11
IUPAC Name3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane
SMILESCc1[nH]c2cc(Br)ccc2c1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28BrNOSi/c1-13-15(16-10-9-14(19)12-17(16)20-13)8-7-11-21-22(5,6)18(2,3)4/h9-10,12,20H,7-8,11H2,1-6H3
InChIKeyNCGZQJRCAXGMKP-UHFFFAOYSA-N
XLogP6.19
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
3-(6-bromo-2-methyl-1H-indol-3-yl)propanoic acid
CID 28806785
1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine
CID 13384095
2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane
CID 164858094
2-(3-bromophenyl)ethoxy-tert-butyl-dimethylsilane
CID 11515183
2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one
CID 175953054
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane
CID 151910538
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84644854

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane?
The IUPAC name of 3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane (CID 102042705) is 3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane is Cc1[nH]c2cc(Br)ccc2c1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane?
The InChIKey is NCGZQJRCAXGMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNOSi/c1-13-15(16-10-9-14(19)12-17(16)20-13)8-7-11-21-22(5,6)18(2,3)4/h9-10,12,20H,7-8,11H2,1-6H3.
What are the key properties of 3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane?
3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane has a molecular weight of 382.42 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102042705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).