2,2,5-Trimethyl-5-nitro-1,3-dioxane
Basic information
- CAS
4064-93-1- Standard SMILES
CC1(C)OCC(C)([N+](=O)[O-])CO1- InChIKey
NDRKIYYXYJRZQA-UHFFFAOYSA-N- Molecular formula
- C7H13NO4
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.0844579
Names & identifiers
- Preferred name
- 2,2,5-Trimethyl-5-nitro-1,3-dioxane
- IUPAC
- 2,2,5-trimethyl-5-nitro-1,3-dioxane
Names & synonyms
2,2,5-trimethyl-5-nitro-1,3-dioxane4064-93-1DTXSID60290405RefChem:242943DTXCID40241551NSC68475SCHEMBL4310174SCHEMBL4310179NSC-68475AKOS032957930
Database identifiers
- CAS
4064-93-1- PubChem CID
- 249782
- DTXSID
DTXSID60290405
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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