dibromomethyl-dimethyl-phenylsilane

C9H12Br2Si — CID 11358731

IUPACdibromomethyl-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)C(Br)Br
InChIInChI=1S/C9H12Br2Si/c1-12(2,9(10)11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyTVLWDKKDDXFADE-UHFFFAOYSA-N
MW308.09 g/mol
LogP3.26
Rot. Bonds2

About dibromomethyl-dimethyl-phenylsilane

dibromomethyl-dimethyl-phenylsilane (PubChem CID 11358731) has the molecular formula C9H12Br2Si and a molecular weight of 308.09 g/mol. Its IUPAC name is dibromomethyl-dimethyl-phenylsilane.

Molecular Properties

Compound Namedibromomethyl-dimethyl-phenylsilane
PubChem CID11358731
Molecular FormulaC9H12Br2Si
Molecular Weight308.09 g/mol
Exact Mass305.91
IUPAC Namedibromomethyl-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)C(Br)Br
InChIInChI=1S/C9H12Br2Si/c1-12(2,9(10)11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyTVLWDKKDDXFADE-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 dibromomethyl-dimethyl-phenylsilane?
The IUPAC name of dibromomethyl-dimethyl-phenylsilane (CID 11358731) is dibromomethyl-dimethyl-phenylsilane.
What is the SMILES notation for dibromomethyl-dimethyl-phenylsilane?
The canonical SMILES for dibromomethyl-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)C(Br)Br.
What is the InChIKey of dibromomethyl-dimethyl-phenylsilane?
The InChIKey is TVLWDKKDDXFADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2Si/c1-12(2,9(10)11)8-6-4-3-5-7-8/h3-7,9H,1-2H3.
What are the key properties of dibromomethyl-dimethyl-phenylsilane?
dibromomethyl-dimethyl-phenylsilane has a molecular weight of 308.09 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromomethyl-dimethyl-phenylsilane is sourced from PubChem (CID 11358731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).