Basic information
- CAS
5408-18-4- Standard SMILES
CCCC1(CCC)OC(=O)C(CC)(CC)C(=O)O1- InChIKey
BBMAPDBRAHSYQQ-UHFFFAOYSA-N- Molecular formula
- C14H24O4
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.16745924
Names & identifiers
- Preferred name
- 5,5-Diethyl-2,2-dipropyl-1,3-dioxane-4,6-dione
- IUPAC
- 5,5-diethyl-2,2-dipropyl-1,3-dioxane-4,6-dione
Names & synonyms
5408-18-45,5-diethyl-2,2-dipropyl-1,3-dioxane-4,6-dioneNSC10779DTXSID80968917NSC-10779
Database identifiers
- CAS
5408-18-4- PubChem CID
- 223286
- DTXSID
DTXSID80968917
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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