Basic information
- CAS
6283-15-4- Standard SMILES
CCCCCCC1OCC(CC)([N+](=O)[O-])CO1- InChIKey
ATYJGCJJUXGZTR-UHFFFAOYSA-N- Molecular formula
- C12H23NO4
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.16270821
Names & identifiers
- Preferred name
- 5-Ethyl-2-hexyl-5-nitro-1,3-dioxane
- IUPAC
- 5-ethyl-2-hexyl-5-nitro-1,3-dioxane
Names & synonyms
5-ethyl-2-hexyl-5-nitro-1,3-dioxane6283-15-4NSC 7142NSC7142DTXSID60278405NSC-7142
Database identifiers
- CAS
6283-15-4- PubChem CID
- 221998
- DTXSID
DTXSID60278405
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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