Basic information
- CAS
40244-93-7- Standard SMILES
CC(C)=CCC[N+](=O)[O-]- InChIKey
JGXKMIVGSIVIHF-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- 2-Methyl-5-nitro-2-pentene
- IUPAC
- 2-methyl-5-nitropent-2-ene
- English name
- 2-Methyl-5-nitro-2-pentene
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
2-Methyl-5-nitro-2-pentene2-methyl-5-nitropent-2-ene5-Nitro-2-methyl-2-pentene2-Pentene, 2-methyl-5-nitro-40244-93-7SCHEMBL114821672-Methyl-5-nitro-2-pentene #DTXSID401310995
Database identifiers
- CAS
40244-93-7- PubChem CID
- 534633
- DTXSID
DTXSID401310995- Nikkaji
- J119.693F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 177.7 · 177.7±19.0 °C(Predicted)
- Density
- 0.965 · 0.965±0.06 g/cm3(Predicted)
- pka
- 8.51 · 8.51±0.58(Predicted)
Related reactions
6 records
Compound notes
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