Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCC#CCCOC2CCCCO2)cc1- InChIKey
HFLKZZKQAYQHMQ-UHFFFAOYSA-N- Molecular formula
- C17H22O5S
- Average molar mass
- 338.4 g/mol
Names & identifiers
- Preferred name
- 5-((Tetrahydro-2H-pyran-2-yl)oxy)pent-2-yn-1-yl 4-methylbenzenesulfonate
- IUPAC
- 5-(oxan-2-yloxy)pent-2-ynyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL11004899HFLKZZKQAYQHMQ-UHFFFAOYSA-NDB-1544045-((Tetrahydro-2H-pyran-2-yl)oxy)pent-2-yn-1-yl 4-methylbenzenesulfonate5-[(tetrahydro-2H-pyran-2-yl)oxy]-2-pentyn- 1-yl p-toluenesulphonate92666-03-0
Database identifiers
- PubChem CID
- 11244653
- Nikkaji
- J1.819.180F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 502
Related reactions
2 records
Compound notes
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