tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane

C16H20Si — CID 11447833

IUPACtert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane
SMILESC#Cc1ccc(C#C[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H20Si/c1-7-14-8-10-15(11-9-14)12-13-17(5,6)16(2,3)4/h1,8-11H,2-6H3
InChIKeyMTGBBOSYTRBKON-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.07
Rot. Bonds

About tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane

tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane (PubChem CID 11447833) has the molecular formula C16H20Si and a molecular weight of 240.42 g/mol. Its IUPAC name is tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane
PubChem CID11447833
Molecular FormulaC16H20Si
Molecular Weight240.42 g/mol
Exact Mass240.13
IUPAC Nametert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane
SMILESC#Cc1ccc(C#C[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H20Si/c1-7-14-8-10-15(11-9-14)12-13-17(5,6)16(2,3)4/h1,8-11H,2-6H3
InChIKeyMTGBBOSYTRBKON-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.07
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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Related Compounds

tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane
CID 15258945
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
CID 159842003
1-tert-butyl-4-ethynylbenzene;ethane
CID 143373231
N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline
CID 10542492
methyl (3S)-3-amino-3-[4-[2-[tert-butyl(dimethyl)silyl]ethynyl]phenyl]propanoate;hydrochloride
CID 178001737
(4-ethynylphenoxy)-trimethylsilane
CID 139607872
1-bromo-4-[2-(4-ethynylphenyl)ethynyl]benzene
CID 59747509
2-[(4-ethynylphenyl)methoxy]propane-1,3-diol;2-[(4-iodophenyl)methoxy]propane-1,3-diol;2-[[4-(2-trimethylsilylethynyl)phenyl]methoxy]propane-1,3-diol
CID 158993539
ethane;ethynylbenzene;ethynyl(trimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane
CID 158335292
1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine
CID 163242484
1-ethynyl-4-(4-ethynylphenyl)benzene
CID 139087486

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane (CID 11447833) is tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane is C#Cc1ccc(C#C[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane?
The InChIKey is MTGBBOSYTRBKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Si/c1-7-14-8-10-15(11-9-14)12-13-17(5,6)16(2,3)4/h1,8-11H,2-6H3.
What are the key properties of tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane?
tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane has a molecular weight of 240.42 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane is sourced from PubChem (CID 11447833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).