Basic information
- CAS
6283-06-3- Standard SMILES
CCCCCCC1OCC(C)([N+](=O)[O-])CO1- InChIKey
CILVWTFYDIFKLI-UHFFFAOYSA-N- Molecular formula
- C11H21NO4
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.14705815
Names & identifiers
- Preferred name
- 2-Hexyl-5-methyl-5-nitro-1,3-dioxane
- IUPAC
- 2-hexyl-5-methyl-5-nitro-1,3-dioxane
Names & synonyms
6283-06-32-hexyl-5-methyl-5-nitro-1,3-dioxaneNSC7129DTXSID70278395NSC-7129
Database identifiers
- CAS
6283-06-3- PubChem CID
- 221985
- DTXSID
DTXSID70278395
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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