Basic information
- CAS
50717-87-8- Standard SMILES
O=C1CCCCCCCCCCC1c1ccccc1- InChIKey
OYHSTMSITKQKDF-UHFFFAOYSA-N- Molecular formula
- C18H26O
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.19836545
Names & identifiers
- Preferred name
- Cyclododecanone, 2-phenyl-
- IUPAC
- 2-phenylcyclododecan-1-one
Names & synonyms
Cyclododecanone, 2-phenyl-50717-87-8DTXSID20482223RefChem:335016DTXCID204330332-Phenylcyclododecanone2-PHENYLCYCLODODECAN-1-ONESCHEMBL28417815
Database identifiers
- CAS
50717-87-8- PubChem CID
- 12246750
- DTXSID
DTXSID20482223- Nikkaji
- J1.469.867A
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…