2,8-Bis(2-chlorobenzyl)cyclooctanone
Basic information
- CAS
52186-10-4- Standard SMILES
O=C1C(Cc2ccccc2Cl)CCCCCC1Cc1ccccc1Cl- InChIKey
CYLRCCJCSCHXPA-UHFFFAOYSA-N- Molecular formula
- C22H24Cl2O
- Average molar mass
- 375.3 g/mol
- Monoisotopic mass
- 374.1204208
Names & identifiers
- Preferred name
- 2,8-Bis(2-chlorobenzyl)cyclooctanone
- IUPAC
- 2,8-bis[(2-chlorophenyl)methyl]cyclooctan-1-one
Names & synonyms
52186-10-42,8-Bis(2-chlorobenzyl)cyclooctanone2,8-Bis((2-chlorophenyl)methyl)cyclooctanone2,8-bis[(2-chlorophenyl)methyl]cyclooctan-1-oneCyclooctanone, 2,8-bis((2-chlorophenyl)methyl)-DTXSID00966556
Database identifiers
- CAS
52186-10-4- PubChem CID
- 3045389
- DTXSID
DTXSID00966556
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 388
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Compound notes
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