Basic information
- CAS
285-86-9- Standard SMILES
C1CC2CC1C2- InChIKey
JSMRMEYFZHIPJV-UHFFFAOYSA-N- Molecular formula
- C6H10
- Average molar mass
- 82.14 g/mol
- Monoisotopic mass
- 82.07825032
Names & identifiers
- Preferred name
- Bicyclo[2.1.1]hexane
- IUPAC
- bicyclo[2.1.1]hexane
- English name
- Bicyclo[2.1.1]hexane(7CI,8CI,9CI)
- Molecular formula
- C6H10
- Molecular weight
- 82.14
Names & synonyms
Bicyclo(2.1.1)hexaneBicyclo[2.1.1]hexane285-86-9DTXSID10182720RefChem:119668DTXCID50105211InChI=1/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4HSCHEMBL35270SCHEMBL136714SCHEMBL2245111SCHEMBL6364429SCHEMBL10593849
Show more names
Bicyclo[2.1.1]hexane(7CI,8CI,9CI)
SCHEMBL14634309SCHEMBL14895234SCHEMBL23926890
Database identifiers
- CAS
285-86-9- PubChem CID
- 136122
- DTXSID
DTXSID10182720- Nikkaji
- J1.716.060E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 48.4
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- 21.6 · 21.6-22.0 °C
- Boiling point
- 70.9 °C · 70.9 °C(Press: 751 Torr)
- Density
- 0.939 · 0.939±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
UsesBicyclo[2.1.1]hexane is used in the study of bond properties.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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