Basic information
- CAS
7242-72-0- Standard SMILES
CC(C)(C)C1=CC(=C2C=C(C(C)(C)C)C=C2C(C)(C)C)C(C(C)(C)C)=C1- InChIKey
PHCRQOBFVKBWTL-UHFFFAOYSA-N- Molecular formula
- C26H40
- Average molar mass
- 352.6 g/mol
- Monoisotopic mass
- 352.31300128
Names & identifiers
- Preferred name
- 2,2',4,4'-Tetra-tert-butyl-1,1'-bi(cyclopenta-2,4-dien-1-ylidene)
- IUPAC
- 1,3-ditert-butyl-5-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene
Names & synonyms
7242-72-0DTXSID604139502,2',4,4'-Tetra-tert-butyl-1,1'-bi(cyclopenta-2,4-dien-1-ylidene)
Database identifiers
- CAS
7242-72-0- PubChem CID
- 5260331
- DTXSID
DTXSID60413950
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 677
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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