2,4-Dinitro-6-(octan-3-yl)phenyl methyl carbonate
Basic information
- Standard SMILES
CCCCCC(CC)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OC- InChIKey
JZFVBPQFLJCYIK-UHFFFAOYSA-N- Molecular formula
- C16H22N2O7
- Average molar mass
- 354.35 g/mol
- Monoisotopic mass
- 354.14270105
Names & identifiers
- Preferred name
- 2,4-Dinitro-6-(octan-3-yl)phenyl methyl carbonate
- IUPAC
- (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate
Names & synonyms
DTXSID808967862,4-dinitro-6-(octan-3-yl)phenyl methyl carbonate
Database identifiers
- PubChem CID
- 202241
- DTXSID
DTXSID80896786
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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