Basic information
- CAS
4064-94-2- Standard SMILES
CCC1([N+](=O)[O-])COC(C)(C)OC1- InChIKey
NXQSEIQWULTBHS-UHFFFAOYSA-N- Molecular formula
- C8H15NO4
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.10010796
Names & identifiers
- Preferred name
- 5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane
- IUPAC
- 5-ethyl-2,2-dimethyl-5-nitro-1,3-dioxane
Names & synonyms
5-ethyl-2,2-dimethyl-5-nitro-1,3-dioxane4064-94-2NSC68477SCHEMBL17018560DTXSID20290406NSC-68477
Database identifiers
- CAS
4064-94-2- PubChem CID
- 249783
- DTXSID
DTXSID20290406
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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