(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl 4-methylbenzene-1-sulfonate
Basic information
- CAS
5153-97-9- Standard SMILES
Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1- InChIKey
XVOCEKOSQBFFHW-HYVNUMGLSA-N- Molecular formula
- C17H26O3S
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.16026586
Names & identifiers
- Preferred name
- (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl 4-methylbenzene-1-sulfonate
- IUPAC
- [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfonate
Names & synonyms
5153-97-9AC1NSPCPSCHEMBL7102099DTXSID20416705(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl 4-methylbenzene-1-sulfonatetoluene-4-sulfonic acid 2-isopropyl-5-methyl-cyclohexyl ester
Database identifiers
- CAS
5153-97-9- PubChem CID
- 5337675
- DTXSID
DTXSID20416705- Nikkaji
- J905.560F
Properties
Computed structural properties
- 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
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Related reactions
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Compound notes
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