Trinitroethyl orthocarbonate
Basic information
- CAS
14548-58-4- Standard SMILES
O=[N+]([O-])C(COC(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]- InChIKey
JPTHXHQVODRICI-UHFFFAOYSA-N- Molecular formula
- C9H8N12O28
- Average molar mass
- 732.22 g/mol
- Monoisotopic mass
- 731.95709765
Names & identifiers
- Preferred name
- Trinitroethyl orthocarbonate
- IUPAC
- 1,1,1-trinitro-2-[tris(2,2,2-trinitroethoxy)methoxy]ethane
Names & synonyms
TNEOCTetrabis(2,2,2-trinitroethyl(orthocarbonateTrinitroethylorthocarbonateTrinitroethyl orthocarbonate14548-58-4Tetrakis(trinitroethyl) orthocarbonateRefChem:386491TNEOC [trinitroethylorthocarbonate].1,1,1-trinitro-2-[tris(2,2,2-trinitroethoxy)methoxy]ethaneSCHEMBL1479312DTXSID9074802tetra(trinitroethyl)orthocarbonate
Database identifiers
- CAS
14548-58-4- PubChem CID
- 139779
- DTXSID
DTXSID9074802- Nikkaji
- J855.380G
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 587 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 28
- Rotatable bonds
- 12
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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