(3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane

C14H23BrOSi — CID 159025466

IUPAC(3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane
SMILESCCc1cc(Br)cc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C14H23BrOSi/c1-7-11-8-12(15)10-13(9-11)16-17(5,6)14(2,3)4/h8-10H,7H2,1-6H3
InChIKeyYXBJJEPSJCIZCX-UHFFFAOYSA-N
MW315.33 g/mol
LogP5.40
Rot. Bonds3

About (3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane

(3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane (PubChem CID 159025466) has the molecular formula C14H23BrOSi and a molecular weight of 315.33 g/mol. Its IUPAC name is (3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane
PubChem CID159025466
Molecular FormulaC14H23BrOSi
Molecular Weight315.33 g/mol
Exact Mass314.07
IUPAC Name(3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane
SMILESCCc1cc(Br)cc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C14H23BrOSi/c1-7-11-8-12(15)10-13(9-11)16-17(5,6)14(2,3)4/h8-10H,7H2,1-6H3
InChIKeyYXBJJEPSJCIZCX-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.33
LogP ≤ 55.40
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

methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate
CID 11258393
1-(3-bromo-5-trimethylsilyloxyphenyl)-N-methylmethanamine
CID 167716923
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane
CID 11144009
tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane
CID 91180185
[4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane
CID 11327251
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylaniline
CID 11043205
(4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane
CID 11089314
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride
CID 10919369
dimethyl 5-[[3-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]benzene-1,3-dicarboxylate
CID 10963330
[2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol
CID 169448639
tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane
CID 125115821

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane (CID 159025466) is (3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane is CCc1cc(Br)cc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of (3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane?
The InChIKey is YXBJJEPSJCIZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrOSi/c1-7-11-8-12(15)10-13(9-11)16-17(5,6)14(2,3)4/h8-10H,7H2,1-6H3.
What are the key properties of (3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane?
(3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane has a molecular weight of 315.33 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 159025466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).