2,6,6-Trimethylcyclohex-1-en-1-yl trifluoromethanesulfonate

HCID 11043899
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1=C(OS(=O)(=O)C(F)(F)F)C(C)(C)CCC1
InChIKey
HXVMXLNGRABGCY-UHFFFAOYSA-N
Molecular formula
C10H15F3O3S
Average molar mass
272.29 g/mol
Monoisotopic mass
272.0694

Names & identifiers

Preferred name
2,6,6-Trimethylcyclohex-1-en-1-yl trifluoromethanesulfonate
IUPAC
(2,6,6-trimethylcyclohexen-1-yl) trifluoromethanesulfonate

Names & synonyms

2,6,6-trimethylcyclohex-1-en-1-yl trifluoromethanesulfonateSCHEMBL9279835trifluoro-methanesulfonic acid 2,6,6-trimethyl-cyclohex-1-enyl ester

Database identifiers

PubChem CID
11043899
Nikkaji
J1.227.411D

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
17

Related reactions

1 records
New reaction record

Compound notes

Loading…