tert-butyl-dimethyl-(2-phenylethynyl)silane

C14H20Si — CID 11127691

IUPACtert-butyl-dimethyl-(2-phenylethynyl)silane
SMILESCC(C)(C)[Si](C)(C)C#Cc1ccccc1
InChIInChI=1S/C14H20Si/c1-14(2,3)15(4,5)12-11-13-9-7-6-8-10-13/h6-10H,1-5H3
InChIKeyCAFRNRFDLIEIAI-UHFFFAOYSA-N
MW216.40 g/mol
LogP4.09
Rot. Bonds

About tert-butyl-dimethyl-(2-phenylethynyl)silane

tert-butyl-dimethyl-(2-phenylethynyl)silane (PubChem CID 11127691) has the molecular formula C14H20Si and a molecular weight of 216.40 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-phenylethynyl)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-phenylethynyl)silane
PubChem CID11127691
Molecular FormulaC14H20Si
Molecular Weight216.40 g/mol
Exact Mass216.13
IUPAC Nametert-butyl-dimethyl-(2-phenylethynyl)silane
SMILESCC(C)(C)[Si](C)(C)C#Cc1ccccc1
InChIInChI=1S/C14H20Si/c1-14(2,3)15(4,5)12-11-13-9-7-6-8-10-13/h6-10H,1-5H3
InChIKeyCAFRNRFDLIEIAI-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-phenylethynyl)silane?
The IUPAC name of tert-butyl-dimethyl-(2-phenylethynyl)silane (CID 11127691) is tert-butyl-dimethyl-(2-phenylethynyl)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-phenylethynyl)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-phenylethynyl)silane is CC(C)(C)[Si](C)(C)C#Cc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(2-phenylethynyl)silane?
The InChIKey is CAFRNRFDLIEIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Si/c1-14(2,3)15(4,5)12-11-13-9-7-6-8-10-13/h6-10H,1-5H3.
What are the key properties of tert-butyl-dimethyl-(2-phenylethynyl)silane?
tert-butyl-dimethyl-(2-phenylethynyl)silane has a molecular weight of 216.40 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-phenylethynyl)silane is sourced from PubChem (CID 11127691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).