Basic information
- CAS
6284-06-6- Standard SMILES
CCCCCCCCCC1OCC(CC)([N+](=O)[O-])CO1- InChIKey
HOVGMSVDXREJEM-UHFFFAOYSA-N- Molecular formula
- C15H29NO4
- Average molar mass
- 287.39 g/mol
- Monoisotopic mass
- 287.20965841
Names & identifiers
- Preferred name
- 5-Ethyl-5-nitro-2-nonyl-1,3-dioxane
- IUPAC
- 5-ethyl-5-nitro-2-nonyl-1,3-dioxane
Names & synonyms
6284-06-65-ethyl-5-nitro-2-nonyl-1,3-dioxaneNSC7163DTXSID90278413NSC-7163
Database identifiers
- CAS
6284-06-6- PubChem CID
- 222017
- DTXSID
DTXSID90278413
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…