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2-Trimethylsilanyl-ethyl 4-[3-(3,3-dimethyl-1-p-tolyl-3H-inden-5-yl)-3-oxo-propenyl]-3-fluoro-benzoate

HCID 68831708
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(C2=CC(C)(C)c3cc(C(=O)C=Cc4ccc(C(=O)OCC[Si](C)(C)C)cc4F)ccc32)cc1
InChIKey
FBVJSFZZXJPECC-UHFFFAOYSA-N
Molecular formula
C33H35FO3Si
Average molar mass
526.7 g/mol

Names & identifiers

Preferred name
2-Trimethylsilanyl-ethyl 4-[3-(3,3-dimethyl-1-p-tolyl-3H-inden-5-yl)-3-oxo-propenyl]-3-fluoro-benzoate
IUPAC
2-trimethylsilylethyl 4-[3-[3,3-dimethyl-1-(4-methylphenyl)inden-5-yl]-3-oxoprop-1-enyl]-3-fluorobenzoate

Names & synonyms

SCHEMBL3902000FBVJSFZZXJPECC-UHFFFAOYSA-N2-Trimethylsilanyl-ethyl 4-[3-(3,3-dimethyl-1-p-tolyl-3H-inden-5-yl)-3-oxo-propenyl]-3-fluoro-benzoate

Database identifiers

PubChem CID
68831708

Properties

Computed structural properties

Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
38
Formal charge
0
Complexity
908

Related reactions

3 records
New reaction record
HRID 812928 reaction equation
HRID 812928As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 853200 reaction equation
HRID 853200As productuspto-grants-2007_08
HRID 2114089 reaction equation
HRID 2114089As productuspto-grants-2008_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes