2',2',5,5,6',6',7,7-Octamethylspiro[1,3-benzoxaselenole-2,4'-cyclohexane]-1',3',4,5',6-pentone
Basic information
- CAS
82968-93-2- Standard SMILES
CC1(C)C(=O)C2=C(OC3([Se]2)C(=O)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C1=O- InChIKey
VSRGMJCRYRRBCM-UHFFFAOYSA-N- Molecular formula
- C20H24O6Se
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 440.07381
Names & identifiers
- Preferred name
- 2',2',5,5,6',6',7,7-Octamethylspiro[1,3-benzoxaselenole-2,4'-cyclohexane]-1',3',4,5',6-pentone
- IUPAC
- 2',2',5,5,6',6',7,7-octamethylspiro[1,3-benzoxaselenole-2,4'-cyclohexane]-1',3',4,5',6-pentone
Names & synonyms
82968-93-2NSC3650752',2',5,5,6',6',7,7-octamethylspiro[1,3-benzoxaselenole-2,4'-cyclohexane]-1',3',4,5',6-pentoneDTXSID00320816NSC-3650753',3',5,5,5',5',7,7-Octamethylspiro[[1,3]benzoxaselenole-2,1'-cyclohexane]-2',4,4',6,6'(5H,7H)-pentone
Database identifiers
- CAS
82968-93-2- PubChem CID
- 339245
- DTXSID
DTXSID00320816
Properties
Computed structural properties
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 854
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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