(4-bromophenyl)methyl-tert-butyl-dimethylsilane

C13H21BrSi — CID 54547994

IUPAC(4-bromophenyl)methyl-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H21BrSi/c1-13(2,3)15(4,5)10-11-6-8-12(14)9-7-11/h6-9H,10H2,1-5H3
InChIKeyZHXKJLYUOQUINN-UHFFFAOYSA-N
MW285.30 g/mol
LogP5.04
Rot. Bonds2

About (4-bromophenyl)methyl-tert-butyl-dimethylsilane

(4-bromophenyl)methyl-tert-butyl-dimethylsilane (PubChem CID 54547994) has the molecular formula C13H21BrSi and a molecular weight of 285.30 g/mol. Its IUPAC name is (4-bromophenyl)methyl-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(4-bromophenyl)methyl-tert-butyl-dimethylsilane
PubChem CID54547994
Molecular FormulaC13H21BrSi
Molecular Weight285.30 g/mol
Exact Mass284.06
IUPAC Name(4-bromophenyl)methyl-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H21BrSi/c1-13(2,3)15(4,5)10-11-6-8-12(14)9-7-11/h6-9H,10H2,1-5H3
InChIKeyZHXKJLYUOQUINN-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.30
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (4-bromophenyl)methyl-tert-butyl-dimethylsilane?
The IUPAC name of (4-bromophenyl)methyl-tert-butyl-dimethylsilane (CID 54547994) is (4-bromophenyl)methyl-tert-butyl-dimethylsilane.
What is the SMILES notation for (4-bromophenyl)methyl-tert-butyl-dimethylsilane?
The canonical SMILES for (4-bromophenyl)methyl-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Cc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl-tert-butyl-dimethylsilane?
The InChIKey is ZHXKJLYUOQUINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrSi/c1-13(2,3)15(4,5)10-11-6-8-12(14)9-7-11/h6-9H,10H2,1-5H3.
What are the key properties of (4-bromophenyl)methyl-tert-butyl-dimethylsilane?
(4-bromophenyl)methyl-tert-butyl-dimethylsilane has a molecular weight of 285.30 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-tert-butyl-dimethylsilane is sourced from PubChem (CID 54547994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).