[7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane

C22H38BrNOSi — CID 90723233

IUPAC[7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane
SMILESCCC(=CCCC(CC)(CC)O[Si](CC)(CC)CC)c1cccc(Br)n1
InChIInChI=1S/C22H38BrNOSi/c1-7-19(20-16-13-17-21(23)24-20)15-14-18-22(8-2,9-3)25-26(10-4,11-5)12-6/h13,15-17H,7-12,14,18H2,1-6H3
InChIKeyKSFXGOPNOQPGFE-UHFFFAOYSA-N
MW440.54 g/mol
LogP8.00
Rot. Bonds12

About [7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane

[7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane (PubChem CID 90723233) has the molecular formula C22H38BrNOSi and a molecular weight of 440.54 g/mol. Its IUPAC name is [7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane
PubChem CID90723233
Molecular FormulaC22H38BrNOSi
Molecular Weight440.54 g/mol
Exact Mass439.19
IUPAC Name[7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane
SMILESCCC(=CCCC(CC)(CC)O[Si](CC)(CC)CC)c1cccc(Br)n1
InChIInChI=1S/C22H38BrNOSi/c1-7-19(20-16-13-17-21(23)24-20)15-14-18-22(8-2,9-3)25-26(10-4,11-5)12-6/h13,15-17H,7-12,14,18H2,1-6H3
InChIKeyKSFXGOPNOQPGFE-UHFFFAOYSA-N
XLogP8.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

triethyl-[(E)-3-ethyl-7-thiophen-2-ylnon-6-en-3-yl]oxysilane
CID 141041400
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
2-bromo-6-[(Z)-but-2-en-2-yl]pyridine
CID 59525967
1-(6-bromo-2-pyridinyl)ethenol
CID 143676392
1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine
CID 76696791
6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
CID 103889719
tert-butyl 3-(6-bromo-2-pyridinyl)-3-oxopropanoate
CID 162531785
1-(6-bromo-2-pyridinyl)-2-fluorobutan-1-one
CID 118664563
1-(6-bromo-2-pyridinyl)-3,3-difluorobutan-1-one
CID 118670699
(2-ethylcyclohexyl) 6-bromopyridine-2-carboxylate
CID 103889501
2-bromo-6-(3-methylpentan-3-yl)pyridine
CID 126672300
dimethyl 4-[[5-[(E)-6-ethyl-6-triethylsilyloxyoct-2-en-2-yl]thiophen-3-yl]methoxy]benzene-1,2-dicarboxylate
CID 20636313

Frequently Asked Questions

What is the IUPAC name of [7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane?
The IUPAC name of [7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane (CID 90723233) is [7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane.
What is the SMILES notation for [7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane?
The canonical SMILES for [7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane is CCC(=CCCC(CC)(CC)O[Si](CC)(CC)CC)c1cccc(Br)n1.
What is the InChIKey of [7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane?
The InChIKey is KSFXGOPNOQPGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38BrNOSi/c1-7-19(20-16-13-17-21(23)24-20)15-14-18-22(8-2,9-3)25-26(10-4,11-5)12-6/h13,15-17H,7-12,14,18H2,1-6H3.
What are the key properties of [7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane?
[7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane has a molecular weight of 440.54 g/mol, XLogP of 8.00, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane is sourced from PubChem (CID 90723233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).