2,5-Dimethyl-5-nitro-2-propyl-1,3-dioxane
Basic information
- CAS
6413-84-9- Standard SMILES
CCCC1(C)OCC(C)([N+](=O)[O-])CO1- InChIKey
UKVRTJXVXJOUME-UHFFFAOYSA-N- Molecular formula
- C9H17NO4
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.11575802
Names & identifiers
- Preferred name
- 2,5-Dimethyl-5-nitro-2-propyl-1,3-dioxane
- IUPAC
- 2,5-dimethyl-5-nitro-2-propyl-1,3-dioxane
Names & synonyms
6413-84-92,5-dimethyl-5-nitro-2-propyl-1,3-dioxaneNSC74534DTXSID20982632NSC-74534
Database identifiers
- CAS
6413-84-9- PubChem CID
- 252515
- DTXSID
DTXSID20982632
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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