4-Butylheptane-2,6-dione
Basic information
- CAS
497173-00-9- Standard SMILES
CCCCC(CC(C)=O)CC(C)=O- InChIKey
VDZOUDZDKTWRDJ-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 4-Butylheptane-2,6-dione
- IUPAC
- 4-butylheptane-2,6-dione
Names & synonyms
4-BUTYLHEPTANE-2,6-DIONE497173-00-9DTXSID40786119
Database identifiers
- CAS
497173-00-9- PubChem CID
- 71362500
- DTXSID
DTXSID40786119
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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