Basic information
- Standard SMILES
CC1(C)CC=C(OS(=O)(=O)C(F)(F)F)CC1- InChIKey
DAUZTLHPOWEJFF-UHFFFAOYSA-N- Molecular formula
- C9H13F3O3S
- Average molar mass
- 258.26 g/mol
Names & identifiers
- Preferred name
- 4,4-Dimethylcyclohex-1-ene-1-triflate
- IUPAC
- (4,4-dimethylcyclohexen-1-yl) trifluoromethanesulfonate
Names & synonyms
98056-47-44,4-dimethylcyclohex-1-ene-1-triflate4,4-Dimethyl-1-cyclohexen-1-yl trifluoromethanesuIfonateSCHEMBL38034894,4-Dimethylcyclohex-1-en-1-yl trifluoromethanesulfonateTrifluoromethanesulfonic acid 4,4-dimethyl-1-cyclohexenyl esterMFCD26142006H69403trifluoromethanesulfonic acid 4,4-dimethylcyclohex-1-enyl ester
Database identifiers
- PubChem CID
- 13411668
- Nikkaji
- J1.885.067B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 387
Related reactions
3 records
Linked notes
Loading…