Basic information
- Standard SMILES
C#CCCCCCCC12OCC(CCC)(CO1)CO2- InChIKey
TYBRFZVABQVXEO-UHFFFAOYSA-N- Molecular formula
- C16H26O3
- Average molar mass
- 266.38 g/mol
- Monoisotopic mass
- 266.18819469
Names & identifiers
- Preferred name
- 1-(Oct-7-ynyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
- IUPAC
- 1-oct-7-ynyl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
SCHEMBL9259596TYBRFZVABQVXEO-UHFFFAOYSA-N1-(Oct-7-ynyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Database identifiers
- PubChem CID
- 19373347
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 304
Related reactions
3 records
Compound notes
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