Basic information
- Standard SMILES
C#CCCCCCCOS(=O)(=O)c1ccc(C)cc1- InChIKey
OJNJXLZRWIEFKZ-UHFFFAOYSA-N- Molecular formula
- C15H20O3S
- Average molar mass
- 280.4 g/mol
Names & identifiers
- Preferred name
- Oct-7-yn-1-yl 4-methylbenzene-1-sulfonate
- IUPAC
- oct-7-ynyl 4-methylbenzenesulfonate
Names & synonyms
219982-82-8oct-7-yn-1-yl 4-methylbenzene-1-sulfonateOct-7-yn-1-yl 4-methylbenzenesulfonate7-octynyl p-toluenesulfonate7-octynyl-p-toluenesulfonateorb3175571SCHEMBL1016953OJNJXLZRWIEFKZ-UHFFFAOYSA-NEN300-37152812
Database identifiers
- PubChem CID
- 10779145
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
Related reactions
7 records
Compound notes
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