(4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane

C15H25BrOSi — CID 14680146

IUPAC(4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane
SMILESCc1cc(Br)cc(C)c1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H25BrOSi/c1-11-8-13(16)9-12(2)14(11)10-17-18(6,7)15(3,4)5/h8-9H,10H2,1-7H3
InChIKeySRAARDUPTOBWEK-UHFFFAOYSA-N
MW329.35 g/mol
LogP5.59
Rot. Bonds3

About (4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane

(4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane (PubChem CID 14680146) has the molecular formula C15H25BrOSi and a molecular weight of 329.35 g/mol. Its IUPAC name is (4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane
PubChem CID14680146
Molecular FormulaC15H25BrOSi
Molecular Weight329.35 g/mol
Exact Mass328.09
IUPAC Name(4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane
SMILESCc1cc(Br)cc(C)c1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H25BrOSi/c1-11-8-13(16)9-12(2)14(11)10-17-18(6,7)15(3,4)5/h8-9H,10H2,1-7H3
InChIKeySRAARDUPTOBWEK-UHFFFAOYSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.35
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane (CID 14680146) is (4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane is Cc1cc(Br)cc(C)c1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is SRAARDUPTOBWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrOSi/c1-11-8-13(16)9-12(2)14(11)10-17-18(6,7)15(3,4)5/h8-9H,10H2,1-7H3.
What are the key properties of (4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane?
(4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 329.35 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-dimethylphenyl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 14680146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).