1,2-Octyldinitrate
Basic information
- Standard SMILES
CCCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-]- InChIKey
DDHYKPKLOQESMN-UHFFFAOYSA-N- Molecular formula
- C8H16N2O6
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.10083623
Names & identifiers
- Preferred name
- 1,2-Octyldinitrate
- IUPAC
- 1-nitrooxyoctan-2-yl nitrate
Names & synonyms
1,2-OCTYLDINITRATEDTXSID70875767RefChem:216369DTXCID601013886NOCAS_8757671,2-dinitrooxy-octaneOctane-1,2-diyl dinitrateSCHEMBL13979672
Database identifiers
- PubChem CID
- 23274367
- DTXSID
DTXSID70875767- Nikkaji
- J943.428C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
LogP4.63
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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