Basic information
- Standard SMILES
COc1ccc([N+](=O)[O-])c(C2=CC(C)(C)CC(C)(C)C2)c1- InChIKey
JSJBTTSTGCZENQ-UHFFFAOYSA-N- Molecular formula
- C17H23NO3
- Average molar mass
- 289.4 g/mol
Names & identifiers
- Preferred name
- 4-Methoxy-1-nitro-2-(3,3,5,5-tetramethylcyclohex-1-enyl)benzene
- IUPAC
- 4-methoxy-1-nitro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene
Names & synonyms
SCHEMBL4252042JSJBTTSTGCZENQ-UHFFFAOYSA-N4-Methoxy-1-nitro-2-(3,3,5,5-tetramethylcyclohex-1-enyl)benzene
Database identifiers
- PubChem CID
- 23142145
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 434
Related reactions
4 records
Compound notes
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