5-Ethylbicyclo[2.2.2]oct-2-ene
Basic information
- CAS
106623-85-2- Standard SMILES
CCC1CC2C=CC1CC2- InChIKey
FTOFVYGLRHSFAM-UHFFFAOYSA-N- Molecular formula
- C10H16
- Average molar mass
- 136.23 g/mol
- Monoisotopic mass
- 136.12520051
Names & identifiers
- Preferred name
- 5-Ethylbicyclo[2.2.2]oct-2-ene
- IUPAC
- 5-ethylbicyclo[2.2.2]oct-2-ene
- English name
- Bicyclo(2.2.2)oct-2-ene, 5-ethyl-, (1alpha,4alpha,5alpha)-
- Molecular formula
- C10H16
- Molecular weight
- 136.23
Names & synonyms
5-ethylbicyclo[2.2.2]oct-2-ene106623-86-3Bicyclo(2.2.2)oct-2-ene, 5-ethyl-, (1alpha,4alpha,5alpha)-106623-85-2Bicyclo(2.2.2)oct-2-ene, 5-ethyl-, (1alpha,4alpha,5beta)-SCHEMBL20216336DTXSID30910062bicyclo[2.2.2]oct-2-ene, 5-ethyl-, (1.alpha.,4.alpha.,5.alpha.)-bicyclo[2.2.2]oct-2-ene, 5-ethyl-, (1.alpha.,4.alpha.,5.beta.)-Bicyclo(2.2.2)oct-2-ene, 5-ethyl-, (1alpha,4alpha,5alpha)-
Database identifiers
- CAS
106623-85-2、106623-86-3- PubChem CID
- 145442
- DTXSID
DTXSID30910062
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 176.843 · 176.843±7.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.886 · 0.886±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Related reactions
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Compound notes
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