tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane

C14H23ClOSi — CID 91180185

IUPACtert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane
SMILESCCc1ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H23ClOSi/c1-7-11-8-9-13(12(15)10-11)16-17(5,6)14(2,3)4/h8-10H,7H2,1-6H3
InChIKeyXTHJBXBWIJSFTI-UHFFFAOYSA-N
MW270.88 g/mol
LogP5.29
Rot. Bonds3

About tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane

tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane (PubChem CID 91180185) has the molecular formula C14H23ClOSi and a molecular weight of 270.88 g/mol. Its IUPAC name is tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane
PubChem CID91180185
Molecular FormulaC14H23ClOSi
Molecular Weight270.88 g/mol
Exact Mass270.12
IUPAC Nametert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane
SMILESCCc1ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H23ClOSi/c1-7-11-8-9-13(12(15)10-11)16-17(5,6)14(2,3)4/h8-10H,7H2,1-6H3
InChIKeyXTHJBXBWIJSFTI-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.88
LogP ≤ 55.29
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 tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane (CID 91180185) is tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane is CCc1ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c1.
What is the InChIKey of tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane?
The InChIKey is XTHJBXBWIJSFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClOSi/c1-7-11-8-9-13(12(15)10-11)16-17(5,6)14(2,3)4/h8-10H,7H2,1-6H3.
What are the key properties of tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane?
tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane has a molecular weight of 270.88 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane is sourced from PubChem (CID 91180185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).