2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)-
Basic information
- CAS
71477-76-4- Standard SMILES
C=CC[C@H]1O[C@]2(C)CC[C@H]1[C@@H](C)C2- InChIKey
PEUAQZVDQYVDLY-NNYUYHANSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)-
- IUPAC
- (1R,3R,4S,5S)-1,5-dimethyl-3-prop-2-enyl-2-oxabicyclo[2.2.2]octane
Names & synonyms
3-Allyl-1,5-dimethyl-2-oxabicyclo(2.2.2)octane2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)-2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propen-1-yl)-71477-76-4
Database identifiers
- CAS
71477-76-4- PubChem CID
- 3085476
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Oxabicyclo[2.2.2]octane, 1,5-dimethyl-3-(2-propen-1-yl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…