3,3-Dimethylheptane-2,4,6-trione
Basic information
- CAS
23039-25-0- Standard SMILES
CC(=O)CC(=O)C(C)(C)C(C)=O- InChIKey
BLVCFNFGVTULKJ-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.0942943
Names & identifiers
- Preferred name
- 3,3-Dimethylheptane-2,4,6-trione
- IUPAC
- 3,3-dimethylheptane-2,4,6-trione
Names & synonyms
23039-25-0NSC 1520083,3-dimethylheptane-2,4,6-trioneNSC152008DTXSID40302590NSC-152008
Database identifiers
- CAS
23039-25-0- PubChem CID
- 289760
- DTXSID
DTXSID40302590
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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