3-[(Benzenesulfonyl)methyl]-2,4,4-trimethylcyclohex-2-en-1-ol
Basic information
- CAS
59482-67-6- Standard SMILES
CC1=C(CS(=O)(=O)c2ccccc2)C(C)(C)CCC1O- InChIKey
YAMPQTBRJXYNFI-UHFFFAOYSA-N- Molecular formula
- C16H22O3S
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.12896573
Names & identifiers
- Preferred name
- 3-[(Benzenesulfonyl)methyl]-2,4,4-trimethylcyclohex-2-en-1-ol
- IUPAC
- 3-(benzenesulfonylmethyl)-2,4,4-trimethylcyclohex-2-en-1-ol
Names & synonyms
59482-67-6DTXSID407871413-[(Benzenesulfonyl)methyl]-2,4,4-trimethylcyclohex-2-en-1-ol
Database identifiers
- CAS
59482-67-6- PubChem CID
- 71363626
- DTXSID
DTXSID40787141
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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