5-Ethyl-5-nitro-2-octyl-1,3-dioxane
Basic information
- CAS
6975-22-0- Standard SMILES
CCCCCCCCC1OCC(CC)([N+](=O)[O-])CO1- InChIKey
GAYAUSDHVRPICO-UHFFFAOYSA-N- Molecular formula
- C14H27NO4
- Average molar mass
- 273.37 g/mol
- Monoisotopic mass
- 273.19400834
Names & identifiers
- Preferred name
- 5-Ethyl-5-nitro-2-octyl-1,3-dioxane
- IUPAC
- 5-ethyl-5-nitro-2-octyl-1,3-dioxane
Names & synonyms
5-ethyl-5-nitro-2-octyl-1,3-dioxane6975-22-0NSC22099DTXSID70281602NSC-22099DS-008959
Database identifiers
- CAS
6975-22-0- PubChem CID
- 228916
- DTXSID
DTXSID70281602
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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