Basic information
- CAS
80398-28-3- Standard SMILES
O=C1CC2CCCC3CC4CCCC5CC(=O)C1C(C23)C54- InChIKey
BNONNXKQEAGEGI-UHFFFAOYSA-N- Molecular formula
- C19H26O2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.19328007
Names & identifiers
- Preferred name
- Benzo(cd)pyrenone
- IUPAC
- pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane-7,9-dione
Names & synonyms
80398-28-3Benzo(cd)pyrenoneDTXSID201001213Tetradecahydro-2H-benzo[cd]pyrene-1,11(3H,7H)-dione
Database identifiers
- CAS
80398-28-3- PubChem CID
- 54565
- DTXSID
DTXSID201001213
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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