Basic information
- CAS
21182-43-4- Standard SMILES
CCCCCCCCC1=CC(=O)C=CC1=O- InChIKey
YHQZVSVVXAXCMA-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 2-Octylcyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-octylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
21182-43-42-octylcyclohexa-2,5-diene-1,4-dioneNSC99309SCHEMBL8782213DTXSID60295016NSC-99309
Database identifiers
- CAS
21182-43-4- PubChem CID
- 264274
- DTXSID
DTXSID60295016
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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