Basic information
- CAS
53397-66-3- Standard SMILES
C1#Cc2ccccc2C=Cc2ccccc21- InChIKey
GVOYLOQRZIUYOL-UHFFFAOYSA-N- Molecular formula
- C16H10
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.07825032
Names & identifiers
- Preferred name
- Dibenzo(a,e)cyclooctene, 5,6-didehydro-
- IUPAC
- tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yne
Names & synonyms
53397-66-3Dibenzo(a,e)cyclooctene, 5,6-didehydro-Dibenzo[a,e]cyclooctene,5,6-didehydro-DB-257164Tricyclo[10.4.0.04,9]hexadecane-1(16),4(9),5,7,10,12,14-heptene-2-yne
Database identifiers
- CAS
53397-66-3- PubChem CID
- 143045
- DTXSID
DTXSID80968053
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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