Basic information
- CAS
5385-36-4- Standard SMILES
c1cc2cc(c1)CCc1ccc(cc1)CC2- InChIKey
ALDQBAILWKRGEG-UHFFFAOYSA-N- Molecular formula
- C16H16
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.12520051
Names & identifiers
- Preferred name
- 2,2-Metaparacyclophane
- IUPAC
- tricyclo[9.2.2.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaene
- English name
- 2,2-Metaparacyclophane
- Molecular formula
- C16H16
- Molecular weight
- 208.3
Names & synonyms
2,2-Metaparacyclophane5385-36-4[2.2]metaparacyclophane[2.2]-metaparacyclophaneDTXSID502021181(1,3),4(1,4)-Dibenzenacyclohexaphane1,3-(p-Phenylenebisethylene)benzeneTricyclo[9.2.2.14,8]hexadeca-4,6,8(16),11,13,14-hexaeneTricyclo[9.2.2.14,8]hexadeca-4,6,8(16),11,13(1),14-hexaene
Database identifiers
- CAS
5385-36-4- PubChem CID
- 138481
- DTXSID
DTXSID50202118- Nikkaji
- J13.406F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 282.51 °C · 282.51°C (rough estimate)
- Density
- 0.99 · 0.9900 (rough estimate)
- refractive index
- 1.642 · 1.6420 (estimate)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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