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

C19H20OSi — CID 99863917

IUPACtrimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
SMILESC[Si](C)(C)O[C@]1(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/t19-/m1/s1
InChIKeyGRRJZOSVIBMDQU-LJQANCHMSA-N
MW292.45 g/mol
LogP4.34
Rot. Bonds2

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

trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane (PubChem CID 99863917) has the molecular formula C19H20OSi and a molecular weight of 292.45 g/mol. Its IUPAC name is trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
PubChem CID99863917
Molecular FormulaC19H20OSi
Molecular Weight292.45 g/mol
Exact Mass292.13
IUPAC Nametrimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
SMILESC[Si](C)(C)O[C@]1(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/t19-/m1/s1
InChIKeyGRRJZOSVIBMDQU-LJQANCHMSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
CID 2752689
(1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 11311149
trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane
CID 134942107
phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone
CID 100988181
2,2-dimethyl-1-[2-[2-(2-phenylethynyl)phenyl]ethynyl]-3H-inden-1-ol
CID 11068457
(1S,6R)-8-(2-phenylethynyl)-8-trimethylsilyloxybicyclo[4.2.0]octan-7-one
CID 134922183
1-phenyl-2-[(7R)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone
CID 99863929
1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone
CID 99863928
trimethyl-[4-methylidene-1-(2-phenylethynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-yl]oxysilane
CID 134983521
2-[4-[9-oxo-2-(2-phenylethynyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]phenyl]-2-(2-phenylethynyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 153299282
1,4-diphenyl-3-(2-phenylethynyl)-3-trimethylsilyloxyazetidin-2-one
CID 14116413
trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane
CID 24899121

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane?
The IUPAC name of trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane (CID 99863917) is trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane.
What is the SMILES notation for trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane?
The canonical SMILES for trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane is C[Si](C)(C)O[C@]1(C#Cc2ccccc2)Cc2ccccc21.
What is the InChIKey of trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane?
The InChIKey is GRRJZOSVIBMDQU-LJQANCHMSA-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/t19-/m1/s1.
What are the key properties of trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane?
trimethyl-[[(7S)-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-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane is sourced from PubChem (CID 99863917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).