phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone

C18H20O2Si — CID 100988181

IUPACphenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone
SMILESC[Si](C)(C)O[C@@]1(C(=O)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C18H20O2Si/c1-21(2,3)20-18(13-15-11-7-8-12-16(15)18)17(19)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3/t18-/m0/s1
InChIKeyJVOPNFXJYIOZBH-SFHVURJKSA-N
MW296.44 g/mol
LogP4.17
Rot. Bonds4

About phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone

phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone (PubChem CID 100988181) has the molecular formula C18H20O2Si and a molecular weight of 296.44 g/mol. Its IUPAC name is phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone.

Molecular Properties

Compound Namephenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone
PubChem CID100988181
Molecular FormulaC18H20O2Si
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Namephenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone
SMILESC[Si](C)(C)O[C@@]1(C(=O)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C18H20O2Si/c1-21(2,3)20-18(13-15-11-7-8-12-16(15)18)17(19)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3/t18-/m0/s1
InChIKeyJVOPNFXJYIOZBH-SFHVURJKSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone 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

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-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
CID 2752689
trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
CID 99863917
(7-iodo-7-bicyclo[4.2.0]octa-1,3,5-trienyl) acetate
CID 140709227
1-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 22367227
(7-hydroxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl benzoate
CID 102224500
methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 14546673
2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one
CID 14591548
methyl 2-benzoyloxirane-2-carboxylate
CID 14685242
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
(1-fluorocyclopropyl)-phenylmethanone
CID 18983537

Frequently Asked Questions

What is the IUPAC name of phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone?
The IUPAC name of phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone (CID 100988181) is phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone.
What is the SMILES notation for phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone?
The canonical SMILES for phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone is C[Si](C)(C)O[C@@]1(C(=O)c2ccccc2)Cc2ccccc21.
What is the InChIKey of phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone?
The InChIKey is JVOPNFXJYIOZBH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20O2Si/c1-21(2,3)20-18(13-15-11-7-8-12-16(15)18)17(19)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3/t18-/m0/s1.
What are the key properties of phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone?
phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone has a molecular weight of 296.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone is sourced from PubChem (CID 100988181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).