Basic information
- Standard SMILES
CCCC(=O)C1C(=O)CC(CC(C)SCC)CC1=O- InChIKey
CNIMVLCIILGGIX-UHFFFAOYSA-N- Molecular formula
- C15H24O3S
- Average molar mass
- 284.4 g/mol
Names & identifiers
- Preferred name
- 2-Butyryl-5-[2-(ethylthio)propyl]-1,3-cyclohexanedione
- IUPAC
- 2-butanoyl-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione
Names & synonyms
2-butyryl-5-[2-(ethylthio)propyl]-1,3-cyclohexanedioneSMR000137198Oprea1_469700MLS000532259CHEMBL1504944SCHEMBL10791874CNIMVLCIILGGIX-UHFFFAOYSA-NHMS2484J24SR-01000199215SR-01000199215-12-butyryl-5-(2-ethylthiopropyl)cyclohexane-1,3-dione2-butyryl-5-(2-ethylthiopropyl) cyclohexane-1,3-dione
Show more names
2-butyryl-5-(2-ethylthiopropyl)-cyclohexane-1,3-dione
Database identifiers
- PubChem CID
- 2834754
- ChEMBL
CHEMBL1504944
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
4 records
Compound notes
Loading…