2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl-
Basic information
- CAS
134133-79-2- Standard SMILES
C#Cc1ccc(C23OCC(CCCCCC)(CO2)CO3)cc1- InChIKey
IZKFEJRSQCWKAO-UHFFFAOYSA-N- Molecular formula
- C19H24O3
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.17254462
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl-
- IUPAC
- 1-(4-ethynylphenyl)-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl-1-(4-Ethynylphenyl)-4-hexyl-2,6,7-trioxabicyclo(2.2.2)octane134133-79-2DTXSID701585471-(4-Ethynylphenyl)-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octaneRefChem:247927DTXCID2081038
Database identifiers
- CAS
134133-79-2- PubChem CID
- 3077342
- DTXSID
DTXSID70158547
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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