Basic information
- Standard SMILES
C#CC(C)CCCOS(C)(=O)=O- InChIKey
JTWTZKBYKXYKAY-UHFFFAOYSA-N- Molecular formula
- C8H14O3S
- Average molar mass
- 190.26 g/mol
- Monoisotopic mass
- 190.06636548
Names & identifiers
- Preferred name
- 4-Methyl-5-hexynyl methanesulfonate
- IUPAC
- 4-methylhex-5-ynyl methanesulfonate
Names & synonyms
SCHEMBL1019648JTWTZKBYKXYKAY-UHFFFAOYSA-N4-methyl-5-hexynyl methanesulfonate
Database identifiers
- PubChem CID
- 59378474
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 252
Related reactions
2 records
Compound notes
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