(3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane

C14H23BrOSi — CID 59132118

IUPAC(3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane
SMILESCc1ccc(Br)c(C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23BrOSi/c1-10-8-9-12(15)11(2)13(10)16-17(6,7)14(3,4)5/h8-9H,1-7H3
InChIKeyYWXDDGWCGMMXRM-UHFFFAOYSA-N
MW315.33 g/mol
LogP5.45
Rot. Bonds2

About (3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane

(3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane (PubChem CID 59132118) has the molecular formula C14H23BrOSi and a molecular weight of 315.33 g/mol. Its IUPAC name is (3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane
PubChem CID59132118
Molecular FormulaC14H23BrOSi
Molecular Weight315.33 g/mol
Exact Mass314.07
IUPAC Name(3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane
SMILESCc1ccc(Br)c(C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23BrOSi/c1-10-8-9-12(15)11(2)13(10)16-17(6,7)14(3,4)5/h8-9H,1-7H3
InChIKeyYWXDDGWCGMMXRM-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.33
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde
CID 167731074
(6-bromo-2,3-dimethylphenoxy)-trimethylsilane
CID 167731755
tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane
CID 126970735
(3-bromo-2,6-dimethylphenyl) acetate
CID 154301591
2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-3-methylbenzoic acid
CID 167726128
4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline
CID 140964203
methyl 3,5-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzoate
CID 177175663
4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline
CID 167739749
(3,6-dimethyl-2-trimethylsilyloxyphenoxy)-trimethylsilane
CID 153432726
6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
CID 167722100
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
7-bromo-4-methyl-1-benzofuran
CID 21071800

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane (CID 59132118) is (3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane is Cc1ccc(Br)c(C)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane?
The InChIKey is YWXDDGWCGMMXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrOSi/c1-10-8-9-12(15)11(2)13(10)16-17(6,7)14(3,4)5/h8-9H,1-7H3.
What are the key properties of (3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane?
(3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane has a molecular weight of 315.33 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 59132118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).