Basic information
- CAS
280-53-5- Standard SMILES
C1CC2CCC1OO2- InChIKey
BFPOIBUGVNVNKU-UHFFFAOYSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 114.14 g/mol
- Monoisotopic mass
- 114.06807956
Names & identifiers
- Preferred name
- 2,3-Dioxabicyclo(2.2.2)octane
- IUPAC
- 2,3-dioxabicyclo[2.2.2]octane
Names & synonyms
2,3-Dioxabicyclo[2.2.2]octane2,3-Dioxabicyclo(2.2.2)octane280-53-5DTXSID70182281RefChem:81880DTXCID80104772BFPOIBUGVNVNKU-UHFFFAOYSA-NSCHEMBL173947822,3-dioxabicyclo[2.2.2]-octane2,3-Dioxa-bicyclo[2.2.2]octane
Database identifiers
- CAS
280-53-5- PubChem CID
- 136100
- DTXSID
DTXSID70182281- Nikkaji
- J1.691.052J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.5
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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