(4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane

C14H23BrO3Si — CID 11089314

IUPAC(4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane
SMILESCOc1cc(Br)cc(OC)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23BrO3Si/c1-14(2,3)19(6,7)18-13-11(16-4)8-10(15)9-12(13)17-5/h8-9H,1-7H3
InChIKeyDAUJPVNIOHHCPY-UHFFFAOYSA-N
MW347.33 g/mol
LogP4.85
Rot. Bonds4

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

(4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane (PubChem CID 11089314) has the molecular formula C14H23BrO3Si and a molecular weight of 347.33 g/mol. Its IUPAC name is (4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane
PubChem CID11089314
Molecular FormulaC14H23BrO3Si
Molecular Weight347.33 g/mol
Exact Mass346.06
IUPAC Name(4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane
SMILESCOc1cc(Br)cc(OC)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23BrO3Si/c1-14(2,3)19(6,7)18-13-11(16-4)8-10(15)9-12(13)17-5/h8-9H,1-7H3
InChIKeyDAUJPVNIOHHCPY-UHFFFAOYSA-N
XLogP4.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethoxyphenoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane (CID 11089314) is (4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane is COc1cc(Br)cc(OC)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane?
The InChIKey is DAUJPVNIOHHCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO3Si/c1-14(2,3)19(6,7)18-13-11(16-4)8-10(15)9-12(13)17-5/h8-9H,1-7H3.
What are the key properties of (4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane?
(4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane has a molecular weight of 347.33 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 11089314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).