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Basic information
- CAS
28289-71-6- Standard SMILES
O=C1CCC2C3CCC(=O)C3C12- InChIKey
QSFVWIHVZNPWID-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- Octahydrocyclobuta[1,2-a:3,4-a']dicyclopentene-1,6-dione
- IUPAC
- tricyclo[5.3.0.02,6]decane-3,10-dione
Names & synonyms
28289-71-6octahydrocyclobuta[1,2-a:3,4-a']dicyclopentene-1,6-dioneNSC124089SCHEMBL22078932DTXSID00298541QSFVWIHVZNPWID-UHFFFAOYSA-NNSC-124089Cyclobuta[1,2:3,4]dicyclopentene-1,6-dione, octahydro-
Database identifiers
- CAS
28289-71-6- PubChem CID
- 276352
- DTXSID
DTXSID00298541- Nikkaji
- J636.001G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- 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
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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