tert-butyl-dimethyl-phenylmethoxysilane

C13H22OSi — CID 596642

IUPACtert-butyl-dimethyl-phenylmethoxysilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccccc1
InChIInChI=1S/C13H22OSi/c1-13(2,3)15(4,5)14-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyADJGQDWJHKPZGH-UHFFFAOYSA-N
MW222.40 g/mol
LogP4.21
Rot. Bonds3

About tert-butyl-dimethyl-phenylmethoxysilane

tert-butyl-dimethyl-phenylmethoxysilane (PubChem CID 596642) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is tert-butyl-dimethyl-phenylmethoxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-phenylmethoxysilane
PubChem CID596642
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Nametert-butyl-dimethyl-phenylmethoxysilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccccc1
InChIInChI=1S/C13H22OSi/c1-13(2,3)15(4,5)14-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyADJGQDWJHKPZGH-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 54.21
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-dimethyl-phenylmethoxysilane?
The IUPAC name of tert-butyl-dimethyl-phenylmethoxysilane (CID 596642) is tert-butyl-dimethyl-phenylmethoxysilane.
What is the SMILES notation for tert-butyl-dimethyl-phenylmethoxysilane?
The canonical SMILES for tert-butyl-dimethyl-phenylmethoxysilane is CC(C)(C)[Si](C)(C)OCc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-phenylmethoxysilane?
The InChIKey is ADJGQDWJHKPZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-13(2,3)15(4,5)14-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-phenylmethoxysilane?
tert-butyl-dimethyl-phenylmethoxysilane has a molecular weight of 222.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-phenylmethoxysilane is sourced from PubChem (CID 596642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).