Cyclopent(d)oxecin-2,9-dione, 1,4,5,8,8a,10,11,11a-octahydro-, (6Z,8aR,11aR)-
Basic information
- CAS
70981-24-7- Standard SMILES
O=C1C[C@H]2CCC(=O)[C@@H]2C/C=C\CCO1- InChIKey
DINQMNROFIPFOH-BSANDHCLSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- Cyclopent(d)oxecin-2,9-dione, 1,4,5,8,8a,10,11,11a-octahydro-, (6Z,8aR,11aR)-
- IUPAC
- (6Z,8aR,11aR)-1,4,5,8,8a,10,11,11a-octahydrocyclopenta[d]oxecine-2,9-dione
Names & synonyms
70981-24-7Cyclopent(d)oxecin-2,9-dione, 1,4,5,8,8a,10,11,11a-octahydro-, (6Z,8aR,11aR)-DTXSID801150686(6Z,8aR,11aR)-1,4,5,8,8a,10,11,11a-octahydrocyclopenta[d]oxecine-2,9-dione(6Z,8aR,11aR)-1,4,5,8,8a,10,11,11a-Octahydrocyclopent[d]oxecin-2,9-dione
Database identifiers
- CAS
70981-24-7- PubChem CID
- 6443097
- DTXSID
DTXSID801150686- Nikkaji
- J648.242B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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