Basic information
- CAS
3316-11-8- Standard SMILES
CC(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O- InChIKey
FCDITYROBVWZOO-UHFFFAOYSA-N- Molecular formula
- C18H26O4
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.18310931
Names & identifiers
- Preferred name
- 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane
- IUPAC
- 2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione
Names & synonyms
1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane3316-11-81,3-Cyclohexanedione, 2,2'-ethylidenebis[5,5-dimethyl-DTXSID10339712FCDITYROBVWZOO-UHFFFAOYSA-N2,2'-(Ethane-1,1-diyl)bis(5,5-dimethylcyclohexane-1,3-dione)
Database identifiers
- CAS
3316-11-8- PubChem CID
- 558015
- DTXSID
DTXSID10339712- Nikkaji
- J1.408.601C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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