Structure Info
- Chemspace ID
- CSMB06446545670 (Enamine MADE)
- CAS
- 129338-84-7
- IUPAC Name
- 1-(4-ethynylphenyl)-4-(prop-2-en-1-yl)-2,6,7-trioxabicyclo[2.2.2]octane
- Mol formula
- C16H16O3
- Mol weight
- 256 Da
- Catalog Number(s)
- EN300-28247188
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.22
- Heavy atoms count
- 19
- Rotatable bond count
- 3
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.375
- Polar surface area (Å)
- 28
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB06446545670
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