ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane

C18H18Si — CID 164683319

IUPACethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane
SMILESC=C[Si](C)(C)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C18H18Si/c1-4-19(2,3)18-13-9-8-12-17(18)15-14-16-10-6-5-7-11-16/h4-13H,1H2,2-3H3
InChIKeyIQQOFPGPDTXYCR-UHFFFAOYSA-N
MW262.43 g/mol
LogP3.73
Rot. Bonds2

About ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane

ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane (PubChem CID 164683319) has the molecular formula C18H18Si and a molecular weight of 262.43 g/mol. Its IUPAC name is ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane.

Molecular Properties

Compound Nameethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane
PubChem CID164683319
Molecular FormulaC18H18Si
Molecular Weight262.43 g/mol
Exact Mass262.12
IUPAC Nameethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane
SMILESC=C[Si](C)(C)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C18H18Si/c1-4-19(2,3)18-13-9-8-12-17(18)15-14-16-10-6-5-7-11-16/h4-13H,1H2,2-3H3
InChIKeyIQQOFPGPDTXYCR-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.73
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

hydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane
CID 102493191
dimethyl-(2-phenylethynyl)-[2-(2-phenylethynyl)phenyl]silane
CID 15981524
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane
CID 102153351
1-(2-phenylethynyl)-2-[2-[2-[2-[2-(2-phenylethynyl)phenyl]phenyl]ethynyl]phenyl]benzene
CID 134956691
[2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane
CID 154723514
2-methylbut-2-ene;2-phenylethynylbenzene
CID 143689109
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
1-methyl-4-[2-[2-[2-[2-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 25058797

Frequently Asked Questions

What is the IUPAC name of ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane?
The IUPAC name of ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane (CID 164683319) is ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane.
What is the SMILES notation for ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane?
The canonical SMILES for ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane is C=C[Si](C)(C)c1ccccc1C#Cc1ccccc1.
What is the InChIKey of ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane?
The InChIKey is IQQOFPGPDTXYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Si/c1-4-19(2,3)18-13-9-8-12-17(18)15-14-16-10-6-5-7-11-16/h4-13H,1H2,2-3H3.
What are the key properties of ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane?
ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane has a molecular weight of 262.43 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane is sourced from PubChem (CID 164683319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).