2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)-
Basic information
- CAS
131505-57-2- Standard SMILES
C#Cc1ccc(C23OCC(C4(C)CC4)(CO2)CO3)cc1- InChIKey
FEQNERJCBFNLSQ-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)-
- IUPAC
- 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)-1-(4-Ethynylphenyl)-4-(1-methylcyclopropyl)-2,6,7-trioxabicyclo(2.2.2)octane131505-57-2DTXSID401570871-(4-Ethynylphenyl)-4-(1-methylcyclopropyl)-2,6,7-trioxabicyclo[2.2.2]octaneRefChem:247913DTXCID8079578SCHEMBL9451469
Database identifiers
- CAS
131505-57-2- PubChem CID
- 3076499
- DTXSID
DTXSID40157087
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…