Basic information
- CAS
939-20-8- Standard SMILES
O=C1CCC2CC(=O)CCC2C1- InChIKey
HJHDCWKDDNLLIS-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- Octahydro-2,6-naphthalenedione
- IUPAC
- 1,3,4,4a,5,7,8,8a-octahydronaphthalene-2,6-dione
Names & synonyms
Octahydro-2,6-naphthalenedione939-20-8RefChem:366760Octahydronaphthalene-2,6-dionedecalin-2,6-dioneSCHEMBL6458908DTXSID301306725SY410181
Database identifiers
- CAS
939-20-8- PubChem CID
- 12839733
- DTXSID
DTXSID301306725
Properties
Computed structural properties
- XLogP
- 0.4
- 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
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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