Bicyclo(2.2.2)oct-2-ene
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Basic information
- CAS
931-64-6- Standard SMILES
C1=CC2CCC1CC2- InChIKey
VIQRCOQXIHFJND-UHFFFAOYSA-N- Molecular formula
- C8H12
- Average molar mass
- 108.18 g/mol
- Monoisotopic mass
- 108.09390038
Overview
structure in first source
Names & identifiers
- Preferred name
- Bicyclo(2.2.2)oct-2-ene
- IUPAC
- bicyclo[2.2.2]oct-2-ene
- English name
- 2,2,2-BICYCLO-2-OCTENE
- Molecular formula
- C8H12
- Molecular weight
- 108.18
Names & synonyms
Bicyclo[2.2.2]oct-2-ene931-64-6BICYCLO(2.2.2)OCT-2-ENEDTXSID40239271RefChem:119697DTXCID60161762Bicyclo[2.2.2]octene2,2,2-Bicyclo-2-octene2,2,2-Bicyclooctene-23,6-EndoethylenecyclohexeneSCHEMBL56991Bicyclo[2,2,2]-2-octene
Show more names
BICYCLO(2.2.2)-2-OCTENEBicyclo[2.2.2]octa-5-eneBicyclo[2.2.2]octane-2-eneCyclohexene, 3,6-endo-(1,2-ethanediyl)-
Bicyclo[2.2.2]-2-octeneSCHEMBL137542SCHEMBL145987SCHEMBL832594SCHEMBL833666SCHEMBL3005285SCHEMBL3276103SCHEMBL9200262
Database identifiers
- CAS
931-64-6- PubChem CID
- 13608
- DTXSID
DTXSID40239271- Nikkaji
- J110.355E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 91.2
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Melting point
- 111.4 °C · 111.4°C
- Boiling point
- 137.85 °C · 137.85°C (rough estimate)
- Density
- 0.8341 · 0.8341 (estimate)
- refractive index
- 1.477 · 1.4770 (estimate)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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