5-Butyl-5-ethyl-2-hexyl-1,3-dioxane
Basic information
- CAS
6676-28-4- Standard SMILES
CCCCCCC1OCC(CC)(CCCC)CO1- InChIKey
HJFOKDVBMQJSAD-UHFFFAOYSA-N- Molecular formula
- C16H32O2
- Average molar mass
- 256.42 g/mol
- Monoisotopic mass
- 256.24023026
Names & identifiers
- Preferred name
- 5-Butyl-5-ethyl-2-hexyl-1,3-dioxane
- IUPAC
- 5-butyl-5-ethyl-2-hexyl-1,3-dioxane
Names & synonyms
6676-28-45-butyl-5-ethyl-2-hexyl-1,3-dioxaneNSC7066DTXSID60278364NSC-7066
Database identifiers
- CAS
6676-28-4- PubChem CID
- 221950
- DTXSID
DTXSID60278364
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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