bromo-tert-butyl-methoxy-phenylsilane

C11H17BrOSi — CID 5062224

IUPACbromo-tert-butyl-methoxy-phenylsilane
SMILESCO[Si](Br)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C11H17BrOSi/c1-11(2,3)14(12,13-4)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyVFFLZSQFWJXUJJ-UHFFFAOYSA-N
MW273.25 g/mol
LogP3.18
Rot. Bonds2

About bromo-tert-butyl-methoxy-phenylsilane

bromo-tert-butyl-methoxy-phenylsilane (PubChem CID 5062224) has the molecular formula C11H17BrOSi and a molecular weight of 273.25 g/mol. Its IUPAC name is bromo-tert-butyl-methoxy-phenylsilane.

Molecular Properties

Compound Namebromo-tert-butyl-methoxy-phenylsilane
PubChem CID5062224
Molecular FormulaC11H17BrOSi
Molecular Weight273.25 g/mol
Exact Mass272.02
IUPAC Namebromo-tert-butyl-methoxy-phenylsilane
SMILESCO[Si](Br)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C11H17BrOSi/c1-11(2,3)14(12,13-4)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyVFFLZSQFWJXUJJ-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bromo-tert-butyl-methoxy-phenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bromo-tert-butyl-methoxy-phenylsilane?
The IUPAC name of bromo-tert-butyl-methoxy-phenylsilane (CID 5062224) is bromo-tert-butyl-methoxy-phenylsilane.
What is the SMILES notation for bromo-tert-butyl-methoxy-phenylsilane?
The canonical SMILES for bromo-tert-butyl-methoxy-phenylsilane is CO[Si](Br)(c1ccccc1)C(C)(C)C.
What is the InChIKey of bromo-tert-butyl-methoxy-phenylsilane?
The InChIKey is VFFLZSQFWJXUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrOSi/c1-11(2,3)14(12,13-4)10-8-6-5-7-9-10/h5-9H,1-4H3.
What are the key properties of bromo-tert-butyl-methoxy-phenylsilane?
bromo-tert-butyl-methoxy-phenylsilane has a molecular weight of 273.25 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-tert-butyl-methoxy-phenylsilane is sourced from PubChem (CID 5062224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).