Basic information
- CAS
5336-67-4- Standard SMILES
CCCCCC(=O)CC(=O)CC- InChIKey
NUOXSJGIRWCWNR-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- Decane-3,5-dione
- IUPAC
- decane-3,5-dione
Names & synonyms
decane-3,5-dione3,5-Decanedione5336-67-4NSC-356NSC356SCHEMBL572968DTXSID20277010JD5D2B6456
Database identifiers
- CAS
5336-67-4- PubChem CID
- 219280
- DTXSID
DTXSID20277010- UNII
- JD5D2B6456
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…