2,2-Dimethyl-5-[(4-nitrophenyl)methylidene]-1,3-dioxane
Basic information
- CAS
104143-49-9- Standard SMILES
CC1(C)OCC(=Cc2ccc([N+](=O)[O-])cc2)CO1- InChIKey
RKRYIMZOIWDWCZ-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-[(4-nitrophenyl)methylidene]-1,3-dioxane
- IUPAC
- 2,2-dimethyl-5-[(4-nitrophenyl)methylidene]-1,3-dioxane
Names & synonyms
104143-49-92,2-Dimethyl-5-[(4-nitrophenyl)methylidene]-1,3-dioxaneSCHEMBL3265547DTXSID80514155DB-2063532,2-dimethyl-5-(4-nitro-benzylidene)-1,3-dioxane5-(4-Nitrobenzylidene)-2,2-dimethyl-1,3-dioxane
Database identifiers
- CAS
104143-49-9- PubChem CID
- 12965862
- DTXSID
DTXSID80514155- Nikkaji
- J457.236J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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