Basic information
- CAS
280-33-1- Standard SMILES
C1CC2CCC1CC2- InChIKey
GPRLTFBKWDERLU-UHFFFAOYSA-N- Molecular formula
- C8H14
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 110.10955045
Overview
structure in first source
Names & identifiers
- Preferred name
- Bicyclo(2.2.2)octane
- IUPAC
- bicyclo[2.2.2]octane
- English name
- Bicyclo[2.2.2]octane
- Molecular formula
- C8H14
- Molecular weight
- 110.2
Names & synonyms
Bicyclo[2.2.2]octane280-33-1BICYCLO(2.2.2)OCTANEDTXSID40182278RefChem:119705DTXCID501047691,4-EndoethylenecyclohexaneCyclohexane, 1,4-endo-(1,2-ethanediyl)-SCHEMBL21492SCHEMBL27748SCHEMBL80844SCHEMBL140665
Show more names
bicycle[2.2.2]octane
SCHEMBL725079SCHEMBL1809415SCHEMBL2223376SCHEMBL2999234SCHEMBL6364211SCHEMBL7961023GPRLTFBKWDERLU-UHFFFAOYSA-NAKOS006275767
Database identifiers
- CAS
280-33-1- PubChem CID
- 9235
- DTXSID
DTXSID40182278- Nikkaji
- J78.951H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 55
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- 169.85 °C · 169.85°C
- Boiling point
- 141.55 °C · 141.55°C (rough estimate)
- Density
- 0.7959 · 0.7959 (estimate)
- refractive index
- 1.471 · 1.4710 (estimate)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Syntechem Co.,Ltd[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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