tert-butyl-(3-chlorophenoxy)-dimethylsilane

C12H19ClOSi — CID 11333992

IUPACtert-butyl-(3-chlorophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(Cl)c1
InChIInChI=1S/C12H19ClOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-9H,1-5H3
InChIKeyDZPKJDCRDGUMDN-UHFFFAOYSA-N
MW242.82 g/mol
LogP4.72
Rot. Bonds2

About tert-butyl-(3-chlorophenoxy)-dimethylsilane

tert-butyl-(3-chlorophenoxy)-dimethylsilane (PubChem CID 11333992) has the molecular formula C12H19ClOSi and a molecular weight of 242.82 g/mol. Its IUPAC name is tert-butyl-(3-chlorophenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-chlorophenoxy)-dimethylsilane
PubChem CID11333992
Molecular FormulaC12H19ClOSi
Molecular Weight242.82 g/mol
Exact Mass242.09
IUPAC Nametert-butyl-(3-chlorophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(Cl)c1
InChIInChI=1S/C12H19ClOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-9H,1-5H3
InChIKeyDZPKJDCRDGUMDN-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.82
LogP ≤ 54.72
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-(3-chlorophenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3-chlorophenoxy)-dimethylsilane (CID 11333992) is tert-butyl-(3-chlorophenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-chlorophenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3-chlorophenoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cccc(Cl)c1.
What is the InChIKey of tert-butyl-(3-chlorophenoxy)-dimethylsilane?
The InChIKey is DZPKJDCRDGUMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-9H,1-5H3.
What are the key properties of tert-butyl-(3-chlorophenoxy)-dimethylsilane?
tert-butyl-(3-chlorophenoxy)-dimethylsilane has a molecular weight of 242.82 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-chlorophenoxy)-dimethylsilane is sourced from PubChem (CID 11333992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).