[2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane

C14H21BrCl2OSi — CID 169498298

IUPAC[2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CBr)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H21BrCl2OSi/c1-14(2,3)19(4,5)18-12(9-15)13-10(16)7-6-8-11(13)17/h6-8,12H,9H2,1-5H3
InChIKeyLGMRVXLAGFQRPT-UHFFFAOYSA-N
MW384.22 g/mol
LogP6.45
Rot. Bonds4

About [2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane

[2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane (PubChem CID 169498298) has the molecular formula C14H21BrCl2OSi and a molecular weight of 384.22 g/mol. Its IUPAC name is [2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane
PubChem CID169498298
Molecular FormulaC14H21BrCl2OSi
Molecular Weight384.22 g/mol
Exact Mass381.99
IUPAC Name[2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CBr)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H21BrCl2OSi/c1-14(2,3)19(4,5)18-12(9-15)13-10(16)7-6-8-11(13)17/h6-8,12H,9H2,1-5H3
InChIKeyLGMRVXLAGFQRPT-UHFFFAOYSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane (CID 169498298) is [2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC(CBr)c1c(Cl)cccc1Cl.
What is the InChIKey of [2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane?
The InChIKey is LGMRVXLAGFQRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrCl2OSi/c1-14(2,3)19(4,5)18-12(9-15)13-10(16)7-6-8-11(13)17/h6-8,12H,9H2,1-5H3.
What are the key properties of [2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane?
[2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane has a molecular weight of 384.22 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 169498298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).