[4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane

C14H23BrOSi — CID 636962

IUPAC[4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCBr)cc1
InChIInChI=1S/C14H23BrOSi/c1-14(2,3)17(4,5)16-13-8-6-12(7-9-13)10-11-15/h6-9H,10-11H2,1-5H3
InChIKeyQLDTWFPECLLJRN-UHFFFAOYSA-N
MW315.33 g/mol
LogP5.01
Rot. Bonds4

About [4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane

[4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane (PubChem CID 636962) has the molecular formula C14H23BrOSi and a molecular weight of 315.33 g/mol. Its IUPAC name is [4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane
PubChem CID636962
Molecular FormulaC14H23BrOSi
Molecular Weight315.33 g/mol
Exact Mass314.07
IUPAC Name[4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCBr)cc1
InChIInChI=1S/C14H23BrOSi/c1-14(2,3)17(4,5)16-13-8-6-12(7-9-13)10-11-15/h6-9H,10-11H2,1-5H3
InChIKeyQLDTWFPECLLJRN-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.33
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Bromoethyl)phenol
CID 84221
Tert-butyl(4-ethynylphenoxy)dimethylsilane
CID 6613427
(2-Allylphenoxy)trimethylsilane
CID 15049460
Trimethyl(m-tolyloxy)silane
CID 519490
Trimethyl(p-tolyloxy)silane
CID 286939
2-(4-((Tert-butyldimethylsilyl)oxy)phenyl)ethan-1-ol
CID 11288221
4-[(trimethylsilyl)methyl]Phenol
CID 13610243
Trimethyl[4-(trifluoromethyl)phenoxy]silane
CID 11817173
Silane, trimethyl(o-tolyloxy)-
CID 517748
4-Biphenyltrimethylsiloxane
CID 523300
4-(1,1,3,3-Tetramethylbutyl)phenyl trimethylsilyl ether
CID 528938
tert-Butyl(dimethyl)(3-methylphenoxy)silane
CID 529234

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane (CID 636962) is [4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(CCBr)cc1.
What is the InChIKey of [4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane?
The InChIKey is QLDTWFPECLLJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrOSi/c1-14(2,3)17(4,5)16-13-8-6-12(7-9-13)10-11-15/h6-9H,10-11H2,1-5H3.
What are the key properties of [4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane?
[4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane has a molecular weight of 315.33 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromoethyl)phenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 636962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).