2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane
Basic information
- CAS
97584-20-8- Standard SMILES
CC1(C)OCC(COc2ccccc2)([N+](=O)[O-])CO1- InChIKey
FBCAKEFRDYZHNJ-UHFFFAOYSA-N- Molecular formula
- C13H17NO5
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.11067264
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane
- IUPAC
- 2,2-dimethyl-5-nitro-5-(phenoxymethyl)-1,3-dioxane
- English name
- 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane
- Molecular formula
- C13H17NO5
- Molecular weight
- 0
Names & synonyms
97584-20-81,3-Dioxane, 2,2-dimethyl-5-nitro-5-(phenoxymethyl)-2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane2,2-dimethyl-5-nitro-5-(phenoxymethyl)-1,3-dioxaneDTXSID002430562,2-dimethyl-5-phenoxymethyl-5-nitro-1,3-dioxane
Database identifiers
- CAS
97584-20-8- PubChem CID
- 178976
- DTXSID
DTXSID00243056
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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