Basic information
- CAS
6232-58-2- Standard SMILES
c1cc2cc(c1)CCc1cccc(c1)CCC2- InChIKey
LAHLYKDOPZLXBS-UHFFFAOYSA-N- Molecular formula
- C17H18
- Average molar mass
- 222.32 g/mol
- Monoisotopic mass
- 222.14085057
Names & identifiers
- Preferred name
- [3.2]Metacyclophane
- IUPAC
- tricyclo[10.3.1.14,8]heptadeca-1(15),4,6,8(17),12(16),13-hexaene
- English name
- Tricyclo[10.3.1.14,8]heptadeca-1(16),4,6,8(17),12,14-hexaene
- Molecular formula
- C17H18
- Molecular weight
- 222.32
Names & synonyms
[3.2]metacyclophane[2.3]MetacyclophaneTricyclo[10.3.1.14,8]heptadeca-1(16),4,6,8(17),12,14-hexaene
Database identifiers
- CAS
6232-58-2- PubChem CID
- 12888137
- Nikkaji
- J55.548G
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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