tert-butyl-(4-methoxyphenoxy)-dimethylsilane

C13H22O2Si — CID 532656

IUPACtert-butyl-(4-methoxyphenoxy)-dimethylsilane
SMILESCOc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C13H22O2Si/c1-13(2,3)16(5,6)15-12-9-7-11(14-4)8-10-12/h7-10H,1-6H3
InChIKeyHDPHSOHXTXSDJI-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.08
Rot. Bonds3

About tert-butyl-(4-methoxyphenoxy)-dimethylsilane

tert-butyl-(4-methoxyphenoxy)-dimethylsilane (PubChem CID 532656) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is tert-butyl-(4-methoxyphenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-methoxyphenoxy)-dimethylsilane
PubChem CID532656
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Nametert-butyl-(4-methoxyphenoxy)-dimethylsilane
SMILESCOc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C13H22O2Si/c1-13(2,3)16(5,6)15-12-9-7-11(14-4)8-10-12/h7-10H,1-6H3
InChIKeyHDPHSOHXTXSDJI-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-methoxyphenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4-methoxyphenoxy)-dimethylsilane (CID 532656) is tert-butyl-(4-methoxyphenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-methoxyphenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4-methoxyphenoxy)-dimethylsilane is COc1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-(4-methoxyphenoxy)-dimethylsilane?
The InChIKey is HDPHSOHXTXSDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-13(2,3)16(5,6)15-12-9-7-11(14-4)8-10-12/h7-10H,1-6H3.
What are the key properties of tert-butyl-(4-methoxyphenoxy)-dimethylsilane?
tert-butyl-(4-methoxyphenoxy)-dimethylsilane has a molecular weight of 238.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-methoxyphenoxy)-dimethylsilane is sourced from PubChem (CID 532656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).