2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane

C16H27BrOSi — CID 14257862

IUPAC2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane
SMILESCC(C)C(C)(C)[Si](C)(C)OCCc1ccc(Br)cc1
InChIInChI=1S/C16H27BrOSi/c1-13(2)16(3,4)19(5,6)18-12-11-14-7-9-15(17)10-8-14/h7-10,13H,11-12H2,1-6H3
InChIKeyXLVKZCYMUMEOHG-UHFFFAOYSA-N
MW343.38 g/mol
LogP5.65
Rot. Bonds6

About 2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane

2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane (PubChem CID 14257862) has the molecular formula C16H27BrOSi and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane.

Molecular Properties

Compound Name2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane
PubChem CID14257862
Molecular FormulaC16H27BrOSi
Molecular Weight343.38 g/mol
Exact Mass342.10
IUPAC Name2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane
SMILESCC(C)C(C)(C)[Si](C)(C)OCCc1ccc(Br)cc1
InChIInChI=1S/C16H27BrOSi/c1-13(2)16(3,4)19(5,6)18-12-11-14-7-9-15(17)10-8-14/h7-10,13H,11-12H2,1-6H3
InChIKeyXLVKZCYMUMEOHG-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
The IUPAC name of 2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane (CID 14257862) is 2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane.
What is the SMILES notation for 2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
The canonical SMILES for 2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane is CC(C)C(C)(C)[Si](C)(C)OCCc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
The InChIKey is XLVKZCYMUMEOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrOSi/c1-13(2)16(3,4)19(5,6)18-12-11-14-7-9-15(17)10-8-14/h7-10,13H,11-12H2,1-6H3.
What are the key properties of 2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane has a molecular weight of 343.38 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane is sourced from PubChem (CID 14257862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).