tert-butyl-(4-ethynylphenoxy)-dimethylsilane

C14H20OSi — CID 6613427

IUPACtert-butyl-(4-ethynylphenoxy)-dimethylsilane
SMILESC#Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C14H20OSi/c1-7-12-8-10-13(11-9-12)15-16(5,6)14(2,3)4/h1,8-11H,2-6H3
InChIKeyDMGDMNJAVKZCDB-UHFFFAOYSA-N
MW232.40 g/mol
LogP4.05
Rot. Bonds2

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

tert-butyl-(4-ethynylphenoxy)-dimethylsilane (PubChem CID 6613427) has the molecular formula C14H20OSi and a molecular weight of 232.40 g/mol. Its IUPAC name is tert-butyl-(4-ethynylphenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-ethynylphenoxy)-dimethylsilane
PubChem CID6613427
Molecular FormulaC14H20OSi
Molecular Weight232.40 g/mol
Exact Mass232.13
IUPAC Nametert-butyl-(4-ethynylphenoxy)-dimethylsilane
SMILESC#Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C14H20OSi/c1-7-12-8-10-13(11-9-12)15-16(5,6)14(2,3)4/h1,8-11H,2-6H3
InChIKeyDMGDMNJAVKZCDB-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-ethynylphenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4-ethynylphenoxy)-dimethylsilane (CID 6613427) is tert-butyl-(4-ethynylphenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-ethynylphenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4-ethynylphenoxy)-dimethylsilane is C#Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-(4-ethynylphenoxy)-dimethylsilane?
The InChIKey is DMGDMNJAVKZCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OSi/c1-7-12-8-10-13(11-9-12)15-16(5,6)14(2,3)4/h1,8-11H,2-6H3.
What are the key properties of tert-butyl-(4-ethynylphenoxy)-dimethylsilane?
tert-butyl-(4-ethynylphenoxy)-dimethylsilane has a molecular weight of 232.40 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-ethynylphenoxy)-dimethylsilane is sourced from PubChem (CID 6613427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).