1,3-Cyclohexanedione, 2-(1-oxohexadecyl)-
Basic information
- CAS
87944-76-1- Standard SMILES
CCCCCCCCCCCCCCCC(=O)C1C(=O)CCCC1=O- InChIKey
LHLQVKHGDWJTGB-UHFFFAOYSA-N- Molecular formula
- C22H38O3
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.28209507
Names & identifiers
- Preferred name
- 1,3-Cyclohexanedione, 2-(1-oxohexadecyl)-
- IUPAC
- 2-hexadecanoylcyclohexane-1,3-dione
Names & synonyms
87944-76-12-hexadecanoylcyclohexane-1,3-dione1,3-Cyclohexanedione, 2-(1-oxohexadecyl)-SCHEMBL21197441DTXSID40404043
Database identifiers
- CAS
87944-76-1- PubChem CID
- 4536046
- DTXSID
DTXSID40404043
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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