2-Isopropyl-5-methylcyclohexyl 4-methylbenzenesulfonate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OC2CC(C)CCC2C(C)C)cc1- InChIKey
XVOCEKOSQBFFHW-UHFFFAOYSA-N- Molecular formula
- C17H26O3S
- Average molar mass
- 310.5 g/mol
Names & identifiers
- Preferred name
- 2-Isopropyl-5-methylcyclohexyl 4-methylbenzenesulfonate
- IUPAC
- (5-methyl-2-propan-2-ylcyclohexyl) 4-methylbenzenesulfonate
Names & synonyms
5-methyl-2-(methylethyl)cyclohexyl 4-methylbenzenesulfonatementhol tosylatementhyl p-toluenesulfonatementhyl-p-toluenesulfonateSCHEMBL9587332-Isopropyl-5-methylcyclohexyl 4-methylbenzenesulfonateSBB056922AKOS024358758ST509880342-Isopropyl-5-methylcyclohexyl 4-methylbenzenesulfonate #
Database identifiers
- PubChem CID
- 586629
- Nikkaji
- J149.663H
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 416
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…