trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane

C19H20OSi — CID 2752689

IUPACtrimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
SMILESC[Si](C)(C)OC1(C#Cc2ccccc2)Cc2ccccc21
InChIInChI=1S/C19H20OSi/c1-21(2,3)20-19(14-13-16-9-5-4-6-10-16)15-17-11-7-8-12-18(17)19/h4-12H,15H2,1-3H3
InChIKeyGRRJZOSVIBMDQU-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.34
Rot. Bonds2

About trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane

trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane (PubChem CID 2752689) has the molecular formula C19H20OSi and a molecular weight of 292.45 g/mol. Its IUPAC name is trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
PubChem CID2752689
Molecular FormulaC19H20OSi
Molecular Weight292.45 g/mol
Exact Mass292.13
IUPAC Nametrimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
SMILESC[Si](C)(C)OC1(C#Cc2ccccc2)Cc2ccccc21
InChIInChI=1S/C19H20OSi/c1-21(2,3)20-19(14-13-16-9-5-4-6-10-16)15-17-11-7-8-12-18(17)19/h4-12H,15H2,1-3H3
InChIKeyGRRJZOSVIBMDQU-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.34
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 trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane?
The IUPAC name of trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane (CID 2752689) is trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane.
What is the SMILES notation for trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane?
The canonical SMILES for trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane is C[Si](C)(C)OC1(C#Cc2ccccc2)Cc2ccccc21.
What is the InChIKey of trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane?
The InChIKey is GRRJZOSVIBMDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20OSi/c1-21(2,3)20-19(14-13-16-9-5-4-6-10-16)15-17-11-7-8-12-18(17)19/h4-12H,15H2,1-3H3.
What are the key properties of trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane?
trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane has a molecular weight of 292.45 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane is sourced from PubChem (CID 2752689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).