7-(2-Acetylcyclopropyl)-6,6-dimethylheptane-2,5-dione
Basic information
- CAS
90174-71-3- Standard SMILES
CC(=O)CCC(=O)C(C)(C)CC1CC1C(C)=O- InChIKey
YKGAAAOOZBINHA-UHFFFAOYSA-N- Molecular formula
- C14H22O3
- Average molar mass
- 238.32 g/mol
- Monoisotopic mass
- 238.15689456
Names & identifiers
- Preferred name
- 7-(2-Acetylcyclopropyl)-6,6-dimethylheptane-2,5-dione
- IUPAC
- 7-(2-acetylcyclopropyl)-6,6-dimethylheptane-2,5-dione
Names & synonyms
7-(2-Acetylcyclopropyl)-6,6-dimethylheptane-2,5-dione90174-71-3DTXSID40337105RefChem:310077DTXCID90288193YKGAAAOOZBINHA-UHFFFAOYSA-N7-(2-Acetylcyclopropyl)-6,6-dimethyl-2,5-heptanedione #
Database identifiers
- CAS
90174-71-3- PubChem CID
- 538686
- DTXSID
DTXSID40337105
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 341
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Compound notes
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