Hexacyclo[7.5.1.03,13.05,12.07,11.010,14]pentadecane-2,6-dione
Basic information
- CAS
63127-41-3- Standard SMILES
O=C1C2CC3CC4C(=O)C5CC1C1C2C3C4C51- InChIKey
PMPWSWZPKYQUHE-UHFFFAOYSA-N- Molecular formula
- C15H16O2
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.11502975
Names & identifiers
- Preferred name
- Hexacyclo[7.5.1.03,13.05,12.07,11.010,14]pentadecane-2,6-dione
- IUPAC
- hexacyclo[7.5.1.03,13.05,12.07,11.010,14]pentadecane-2,6-dione
Names & synonyms
NSC31453763127-41-3DTXSID80317320NSC-314537Dodecahydro-3,4-methanocyclopenta[cd]pentaleno[2,1,6-gha]pentalene-1,5-dione
Database identifiers
- CAS
63127-41-3- PubChem CID
- 329795
- DTXSID
DTXSID80317320
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 453
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Compound notes
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