2-(Benzenesulfonyl)-4-tert-butylcyclohexan-1-one
Basic information
- CAS
408333-46-0- Standard SMILES
CC(C)(C)C1CCC(=O)C(S(=O)(=O)c2ccccc2)C1- InChIKey
FHJGOKCGOXHZAP-UHFFFAOYSA-N- Molecular formula
- C16H22O3S
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.12896573
Names & identifiers
- Preferred name
- 2-(Benzenesulfonyl)-4-tert-butylcyclohexan-1-one
- IUPAC
- 2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-one
Names & synonyms
2-(Benzenesulfonyl)-4-tert-butylcyclohexan-1-one408333-46-0DTXSID60786873RefChem:253188DTXCID90737616
Database identifiers
- CAS
408333-46-0- PubChem CID
- 71363301
- DTXSID
DTXSID60786873
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…