3,3-Dimethylheptane-2,4-dione
Basic information
- CAS
6303-76-0- Standard SMILES
CCCC(=O)C(C)(C)C(C)=O- InChIKey
NXSGYNHURSISBB-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 3,3-Dimethylheptane-2,4-dione
- IUPAC
- 3,3-dimethylheptane-2,4-dione
Names & synonyms
3,3-dimethylheptane-2,4-dione6303-76-0NSC42877SCHEMBL25307640DTXSID00285810NSC-42877DS-001038
Database identifiers
- CAS
6303-76-0- PubChem CID
- 238503
- DTXSID
DTXSID00285810
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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