bromo-dimethyl-tritylsilane

C21H21BrSi — CID 15830523

IUPACbromo-dimethyl-tritylsilane
SMILESC[Si](C)(Br)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21BrSi/c1-23(2,22)21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3
InChIKeyHMYFIHNULFGLHS-UHFFFAOYSA-N
MW381.39 g/mol
LogP6.16
Rot. Bonds4

About bromo-dimethyl-tritylsilane

bromo-dimethyl-tritylsilane (PubChem CID 15830523) has the molecular formula C21H21BrSi and a molecular weight of 381.39 g/mol. Its IUPAC name is bromo-dimethyl-tritylsilane.

Molecular Properties

Compound Namebromo-dimethyl-tritylsilane
PubChem CID15830523
Molecular FormulaC21H21BrSi
Molecular Weight381.39 g/mol
Exact Mass380.06
IUPAC Namebromo-dimethyl-tritylsilane
SMILESC[Si](C)(Br)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21BrSi/c1-23(2,22)21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3
InChIKeyHMYFIHNULFGLHS-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.39
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo-dimethyl-tritylsilane?
The IUPAC name of bromo-dimethyl-tritylsilane (CID 15830523) is bromo-dimethyl-tritylsilane.
What is the SMILES notation for bromo-dimethyl-tritylsilane?
The canonical SMILES for bromo-dimethyl-tritylsilane is C[Si](C)(Br)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-dimethyl-tritylsilane?
The InChIKey is HMYFIHNULFGLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrSi/c1-23(2,22)21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3.
What are the key properties of bromo-dimethyl-tritylsilane?
bromo-dimethyl-tritylsilane has a molecular weight of 381.39 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-dimethyl-tritylsilane is sourced from PubChem (CID 15830523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).