1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone

C19H22O2Si — CID 99863928

IUPAC1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone
SMILESC[Si](C)(C)O[C@]1(CC(=O)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C19H22O2Si/c1-22(2,3)21-19(13-16-11-7-8-12-17(16)19)14-18(20)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3/t19-/m0/s1
InChIKeyMQWFSVPRZFRROK-IBGZPJMESA-N
MW310.47 g/mol
LogP4.56
Rot. Bonds5

About 1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone

1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone (PubChem CID 99863928) has the molecular formula C19H22O2Si and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone
PubChem CID99863928
Molecular FormulaC19H22O2Si
Molecular Weight310.47 g/mol
Exact Mass310.14
IUPAC Name1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone
SMILESC[Si](C)(C)O[C@]1(CC(=O)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C19H22O2Si/c1-22(2,3)21-19(13-16-11-7-8-12-17(16)19)14-18(20)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3/t19-/m0/s1
InChIKeyMQWFSVPRZFRROK-IBGZPJMESA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone with MolForge

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Related Compounds

1-phenyl-2-[(7R)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone
CID 99863929
phenyl-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanone
CID 100988181
ethyl (2R)-3-oxo-2-phenacyl-1H-indene-2-carboxylate
CID 135016562
(7-hydroxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl benzoate
CID 102224500
trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
CID 2752689
2-(1-methoxy-4-methylcyclohexyl)-1-phenylethanone
CID 71409518
trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
CID 99863917
2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone
CID 14491690
(7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
CID 125469336
2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone
CID 12671866
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide
CID 67119844
(1-phenacylcyclopropyl) benzoate
CID 10660387

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone?
The IUPAC name of 1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone (CID 99863928) is 1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone.
What is the SMILES notation for 1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone?
The canonical SMILES for 1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone is C[Si](C)(C)O[C@]1(CC(=O)c2ccccc2)Cc2ccccc21.
What is the InChIKey of 1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone?
The InChIKey is MQWFSVPRZFRROK-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22O2Si/c1-22(2,3)21-19(13-16-11-7-8-12-17(16)19)14-18(20)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3/t19-/m0/s1.
What are the key properties of 1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone?
1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone has a molecular weight of 310.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(7S)-7-trimethylsilyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethanone is sourced from PubChem (CID 99863928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).