trimethyl-[3-(2-phenylethynyl)phenyl]silane

C17H18Si — CID 66902044

IUPACtrimethyl-[3-(2-phenylethynyl)phenyl]silane
SMILESC[Si](C)(C)c1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C17H18Si/c1-18(2,3)17-11-7-10-16(14-17)13-12-15-8-5-4-6-9-15/h4-11,14H,1-3H3
InChIKeyARRNGEVJJGTTDG-UHFFFAOYSA-N
MW250.42 g/mol
LogP3.63
Rot. Bonds1

About trimethyl-[3-(2-phenylethynyl)phenyl]silane

trimethyl-[3-(2-phenylethynyl)phenyl]silane (PubChem CID 66902044) has the molecular formula C17H18Si and a molecular weight of 250.42 g/mol. Its IUPAC name is trimethyl-[3-(2-phenylethynyl)phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-(2-phenylethynyl)phenyl]silane
PubChem CID66902044
Molecular FormulaC17H18Si
Molecular Weight250.42 g/mol
Exact Mass250.12
IUPAC Nametrimethyl-[3-(2-phenylethynyl)phenyl]silane
SMILESC[Si](C)(C)c1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C17H18Si/c1-18(2,3)17-11-7-10-16(14-17)13-12-15-8-5-4-6-9-15/h4-11,14H,1-3H3
InChIKeyARRNGEVJJGTTDG-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.42
LogP ≤ 53.63
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

3-(3-trimethylsilylphenyl)prop-2-yn-1-ol
CID 169485183
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
tetramethylsilane;trimethyl(phenyl)silane
CID 161005748
dimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane
CID 148629996
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
CID 173073657
CID 173073657
magnesium;trimethyl(phenyl)silane;dibromide
CID 175580992
tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane
CID 101415329
1-phenyl-3-[2-(4-phenylphenyl)ethynyl]benzene
CID 59475328
[3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane
CID 11042866

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(2-phenylethynyl)phenyl]silane?
The IUPAC name of trimethyl-[3-(2-phenylethynyl)phenyl]silane (CID 66902044) is trimethyl-[3-(2-phenylethynyl)phenyl]silane.
What is the SMILES notation for trimethyl-[3-(2-phenylethynyl)phenyl]silane?
The canonical SMILES for trimethyl-[3-(2-phenylethynyl)phenyl]silane is C[Si](C)(C)c1cccc(C#Cc2ccccc2)c1.
What is the InChIKey of trimethyl-[3-(2-phenylethynyl)phenyl]silane?
The InChIKey is ARRNGEVJJGTTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Si/c1-18(2,3)17-11-7-10-16(14-17)13-12-15-8-5-4-6-9-15/h4-11,14H,1-3H3.
What are the key properties of trimethyl-[3-(2-phenylethynyl)phenyl]silane?
trimethyl-[3-(2-phenylethynyl)phenyl]silane has a molecular weight of 250.42 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2-phenylethynyl)phenyl]silane is sourced from PubChem (CID 66902044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).