Basic information
- CAS
101421-04-9- Standard SMILES
CC(CC(C)O[N+](=O)[O-])O[N+](=O)[O-]- InChIKey
XVWLQUXGMQFTPO-UHFFFAOYSA-N- Molecular formula
- C5H10N2O6
- Average molar mass
- 194.14 g/mol
- Monoisotopic mass
- 194.05388604
Names & identifiers
- Preferred name
- 2,4-Dinitrooxy-pentane
- IUPAC
- 4-nitrooxypentan-2-yl nitrate
Names & synonyms
2,4-dinitrooxy-pentane2,4-Pentanediol, dinitrate2,4-PENTYLDINITRATEPentane-2,4-diyl dinitrateSCHEMBL11669919DTXSID30875581
Database identifiers
- CAS
101421-04-9- PubChem CID
- 520198
- DTXSID
DTXSID30875581- Nikkaji
- J942.097E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP2.67
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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