2-(Dec-9-en-1-yl)-5-methyl-5-nitro-1,3-dioxane
Basic information
- CAS
5445-62-5- Standard SMILES
C=CCCCCCCCCC1OCC(C)([N+](=O)[O-])CO1- InChIKey
NHLJWEPPPHTLEQ-UHFFFAOYSA-N- Molecular formula
- C15H27NO4
- Average molar mass
- 285.38 g/mol
- Monoisotopic mass
- 285.19400834
Names & identifiers
- Preferred name
- 2-(Dec-9-en-1-yl)-5-methyl-5-nitro-1,3-dioxane
- IUPAC
- 2-dec-9-enyl-5-methyl-5-nitro-1,3-dioxane
Names & synonyms
5445-62-52-(dec-9-en-1-yl)-5-methyl-5-nitro-1,3-dioxaneNSC22106DTXSID30281608NSC-22106
Database identifiers
- CAS
5445-62-5- PubChem CID
- 228923
- DTXSID
DTXSID30281608
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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