Basic information
- CAS
112533-27-4- Standard SMILES
O=C1C2CC3C(=O)C4C5CC6C(C15)C2C3C64- InChIKey
QQZUYDRWCOEIBP-UHFFFAOYSA-N- Molecular formula
- C14H14O2
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.09937969
Names & identifiers
- Preferred name
- 4,1,3-Ethanediylidenecyclopenta(cd,gh)pentalene-6,7(1H)-dione, decahydro-
- IUPAC
- hexacyclo[6.6.0.02,6.03,13.04,11.05,9]tetradecane-10,14-dione
Names & synonyms
112533-27-44,1,3-Ethanediylidenecyclopenta(cd,gh)pentalene-6,7(1H)-dione, decahydro-4,1,3-Ethanediylidenecyclopenta[cd,gh]pentalene-6,7(1H)-dione, decahydro-DTXSID80920833octahydro-1,5,6-(ethane[1,1,2]triyl)dicyclopenta[cd,gh]pentalene-2,4(1H,2aH)-dione
Database identifiers
- CAS
112533-27-4- PubChem CID
- 145485
- DTXSID
DTXSID80920833- Nikkaji
- J1.082.350A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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