3a,5b-Dimethyl-3-(6-methylheptan-2-yl)-1,2,3,3a,4,5,5a,5b,6,7,10a,10b-dodecahydrocyclopenta[a]fluorene-8,10-dione
Basic information
- CAS
2454-60-6- Standard SMILES
CC(C)CCCC(C)C1CCC2C3C(=O)C4=CC(=O)CCC4(C)C3CCC12C- InChIKey
CIUKAHAPMHVTES-UHFFFAOYSA-N- Molecular formula
- C26H40O2
- Average molar mass
- 384.6 g/mol
- Monoisotopic mass
- 384.30283051
Names & identifiers
- Preferred name
- 3a,5b-Dimethyl-3-(6-methylheptan-2-yl)-1,2,3,3a,4,5,5a,5b,6,7,10a,10b-dodecahydrocyclopenta[a]fluorene-8,10-dione
- IUPAC
- 3a,5b-dimethyl-3-(6-methylheptan-2-yl)-1,2,3,4,5,5a,6,7,10a,10b-decahydrocyclopenta[a]fluorene-8,10-dione
Names & synonyms
2454-60-63a,5b-dimethyl-3-(6-methylheptan-2-yl)-1,2,3,3a,4,5,5a,5b,6,7,10a,10b-dodecahydrocyclopenta[a]fluorene-8,10-dioneNSC148941DTXSID50302127NSC-148941
Database identifiers
- CAS
2454-60-6- PubChem CID
- 288203
- DTXSID
DTXSID50302127
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 689
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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