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

C16H16OSi — CID 102493191

IUPAChydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane
SMILESC[Si](C)(O)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C16H16OSi/c1-18(2,17)16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h3-11,17H,1-2H3
InChIKeyGFFUOPJHRZNKDT-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.49
Rot. Bonds1

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

hydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane (PubChem CID 102493191) has the molecular formula C16H16OSi and a molecular weight of 252.39 g/mol. Its IUPAC name is hydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane.

Molecular Properties

Compound Namehydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane
PubChem CID102493191
Molecular FormulaC16H16OSi
Molecular Weight252.39 g/mol
Exact Mass252.10
IUPAC Namehydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane
SMILESC[Si](C)(O)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C16H16OSi/c1-18(2,17)16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h3-11,17H,1-2H3
InChIKeyGFFUOPJHRZNKDT-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
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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Related Compounds

dimethyl-(2-phenylethynyl)-[2-(2-phenylethynyl)phenyl]silane
CID 15981524
ethenyl-dimethyl-[2-(2-phenylethynyl)phenyl]silane
CID 164683319
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-methylbut-2-ene;2-phenylethynylbenzene
CID 143689109
2-[2-(2-phenylethynyl)phenyl]propan-2-ol
CID 168864374
1-methyl-4-[2-[2-[2-[2-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 25058797
2-phenylethynylbenzene;sulfur dioxide
CID 175266779

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane?
The IUPAC name of hydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane (CID 102493191) is hydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane.
What is the SMILES notation for hydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane?
The canonical SMILES for hydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane is C[Si](C)(O)c1ccccc1C#Cc1ccccc1.
What is the InChIKey of hydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane?
The InChIKey is GFFUOPJHRZNKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OSi/c1-18(2,17)16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h3-11,17H,1-2H3.
What are the key properties of hydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane?
hydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane has a molecular weight of 252.39 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane is sourced from PubChem (CID 102493191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).