2,8-Bis(2-chlorobenzylidene)cyclooctanone
Basic information
- CAS
52230-56-5- Standard SMILES
O=C1/C(=C/c2ccccc2Cl)CCCCC/C1=C\c1ccccc1Cl- InChIKey
AOSVYTJYHUAQIS-JSAVKQRWSA-N- Molecular formula
- C22H20Cl2O
- Average molar mass
- 371.3 g/mol
- Monoisotopic mass
- 370.0891206
Names & identifiers
- Preferred name
- 2,8-Bis(2-chlorobenzylidene)cyclooctanone
- IUPAC
- (2E,8E)-2,8-bis[(2-chlorophenyl)methylidene]cyclooctan-1-one
Names & synonyms
2,8-Bis(2-chlorobenzylidene)cyclooctanone2,8-Bis((2-chlorophenyl)methylene)cyclooctanone52230-56-5Cyclooctanone, 2,8-bis((2-chlorophenyl)methylene)-
Database identifiers
- CAS
52230-56-5- PubChem CID
- 6439738
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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