Basic information
- Standard SMILES
CCCC(C#N)CCC1CC(CCC)CCC1COS(=O)(=O)c1ccc(C)cc1- InChIKey
DHMGASPAKIFNDQ-UHFFFAOYSA-N- Molecular formula
- C24H37NO3S
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 419.24941522
Names & identifiers
- Preferred name
- 2-[2-(2-p-Toluenesulfonyloxymethyl-5-propylcyclohexyl)-ethyl]-valeronitrile
- IUPAC
- [2-(3-cyanohexyl)-4-propylcyclohexyl]methyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL10836793DHMGASPAKIFNDQ-UHFFFAOYSA-N2-[2-(2-p-toluenesulfonyloxymethyl-5-propylcyclohexyl)-ethyl]-valeronitrile
Database identifiers
- PubChem CID
- 23311772
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 610
Related reactions
2 records
Compound notes
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