Basic information
- Standard SMILES
CS(=O)(=O)OCCCCCCCCCCCC#N- InChIKey
CDIYFTIWRIGFRG-UHFFFAOYSA-N- Molecular formula
- C13H25NO3S
- Average molar mass
- 275.41 g/mol
Names & identifiers
- Preferred name
- 12-(Methanesulfonyloxy)dodecanonitrile
- IUPAC
- 11-cyanoundecyl methanesulfonate
Names & synonyms
SCHEMBL11399444CDIYFTIWRIGFRG-UHFFFAOYSA-N12-(methanesulfonyloxy)dodecanonitrile
Database identifiers
- PubChem CID
- 21163389
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
Related reactions
3 records
Compound notes
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