Cyclohexene, 6-butyl-1-nitro-
Basic information
- CAS
84820-13-3- Standard SMILES
CCCCC1CCCC=C1[N+](=O)[O-]- InChIKey
NFEBLOJEQRESDC-UHFFFAOYSA-N- Molecular formula
- C10H17NO2
- Average molar mass
- 183.25 g/mol
- Monoisotopic mass
- 183.12592879
Names & identifiers
- Preferred name
- Cyclohexene, 6-butyl-1-nitro-
- IUPAC
- 6-butyl-1-nitrocyclohexene
Names & synonyms
Cyclohexene, 6-butyl-1-nitro-DTXSID00101699984820-13-3RefChem:335665DTXCID501475186NFEBLOJEQRESDC-UHFFFAOYSA-N6-butyl-1-nitrocyclohexene6-Butyl-1-nitro-1-cyclohexene6-Butyl-1-nitrocyclohex-1-ene6-Butyl-1-nitro-1-cyclohexene #
Database identifiers
- CAS
84820-13-3- PubChem CID
- 535089
- DTXSID
DTXSID001016999
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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