Basic information
- CAS
123041-25-8- Standard SMILES
CC(C)C(C)O[N+](=O)[O-]- InChIKey
OTVLXFGCWJFXJU-UHFFFAOYSA-N- Molecular formula
- C5H11NO3
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.07389321
Names & identifiers
- Preferred name
- 3-methylbutan-2-yl Nitrate
- IUPAC
- 3-methylbutan-2-yl nitrate
Names & synonyms
3-methylbutan-2-yl Nitrate123041-25-83-methyl-2-butyl nitrate2-Methyl-3-butyl nitrateSCHEMBL13000794DTXSID60924359OTVLXFGCWJFXJU-UHFFFAOYSA-N
Database identifiers
- CAS
123041-25-8- PubChem CID
- 86192
- DTXSID
DTXSID60924359- Nikkaji
- J1.596.644K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 96.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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