tert-butyl-dimethyl-phenoxysilane

C12H20OSi — CID 529235

IUPACtert-butyl-dimethyl-phenoxysilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1
InChIInChI=1S/C12H20OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKeyCLMZYPRKIYEXFB-UHFFFAOYSA-N
MW208.38 g/mol
LogP4.07
Rot. Bonds2

About tert-butyl-dimethyl-phenoxysilane

tert-butyl-dimethyl-phenoxysilane (PubChem CID 529235) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is tert-butyl-dimethyl-phenoxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-phenoxysilane
PubChem CID529235
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Nametert-butyl-dimethyl-phenoxysilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1
InChIInChI=1S/C12H20OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKeyCLMZYPRKIYEXFB-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 54.07
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-phenoxysilane?
The IUPAC name of tert-butyl-dimethyl-phenoxysilane (CID 529235) is tert-butyl-dimethyl-phenoxysilane.
What is the SMILES notation for tert-butyl-dimethyl-phenoxysilane?
The canonical SMILES for tert-butyl-dimethyl-phenoxysilane is CC(C)(C)[Si](C)(C)Oc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-phenoxysilane?
The InChIKey is CLMZYPRKIYEXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h6-10H,1-5H3.
What are the key properties of tert-butyl-dimethyl-phenoxysilane?
tert-butyl-dimethyl-phenoxysilane has a molecular weight of 208.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-phenoxysilane is sourced from PubChem (CID 529235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).