Basic information
- CAS
123024-70-4- Standard SMILES
CCC(C)C(C)O[N+](=O)[O-]- InChIKey
IEHIEWLLOPOHIZ-UHFFFAOYSA-N- Molecular formula
- C6H13NO3
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.08954328
Names & identifiers
- Preferred name
- 3-Methylpentan-2-yl nitrate
- IUPAC
- 3-methylpentan-2-yl nitrate
Names & synonyms
3-methylpentan-2-yl Nitrate123024-70-4DTXSID10924349RefChem:281183DTXCID0013531913-METHYL-2-PENTYL NITRATE
Database identifiers
- CAS
123024-70-4- PubChem CID
- 86191
- DTXSID
DTXSID10924349- Nikkaji
- J1.596.628I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…