3,8-Cyclodecadiene-1,6-dione
Basic information
- CAS
53578-22-6- Standard SMILES
O=C1CC=CCC(=O)CC=CC1- InChIKey
SEBFSLGGWSYNLH-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 3,8-Cyclodecadiene-1,6-dione
- IUPAC
- cyclodeca-3,8-diene-1,6-dione
Names & synonyms
3,8-Cyclodecadiene-1,6-dione53578-22-6cyclodeca-3,8-diene-1,6-dioneSCHEMBL11376830DTXSID10337495DB-314921
Database identifiers
- CAS
53578-22-6- PubChem CID
- 543095
- DTXSID
DTXSID10337495
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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