1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane

C14H21BrOSi — CID 15148994

IUPAC1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrOSi/c1-11(12-7-9-13(15)10-8-12)16-17(5,6)14(2,3)4/h7-10H,1H2,2-6H3
InChIKeyDJYLYZKTEZXBLZ-UHFFFAOYSA-N
MW313.31 g/mol
LogP5.44
Rot. Bonds3

About 1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane

1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane (PubChem CID 15148994) has the molecular formula C14H21BrOSi and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane
PubChem CID15148994
Molecular FormulaC14H21BrOSi
Molecular Weight313.31 g/mol
Exact Mass312.05
IUPAC Name1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrOSi/c1-11(12-7-9-13(15)10-8-12)16-17(5,6)14(2,3)4/h7-10H,1H2,2-6H3
InChIKeyDJYLYZKTEZXBLZ-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.31
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane (CID 15148994) is 1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane is C=C(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane?
The InChIKey is DJYLYZKTEZXBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrOSi/c1-11(12-7-9-13(15)10-8-12)16-17(5,6)14(2,3)4/h7-10H,1H2,2-6H3.
What are the key properties of 1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane?
1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane has a molecular weight of 313.31 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)ethenoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 15148994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).