Basic information
- Standard SMILES
CCOC(=O)c1ccc(-c2ccc(C#Cc3ccc(C(=O)OC(C)(C)C)cc3)cc2)cc1- InChIKey
CGCWYFVASANYMX-UHFFFAOYSA-N- Molecular formula
- C28H26O4
- Average molar mass
- 426.5 g/mol
Names & identifiers
- Preferred name
- 1-(4-Carbo-tert.-butoxyphenyl)-2-(4'-carbethoxy-biphenyl-4-yl)-ethyne
- IUPAC
- tert-butyl 4-[2-[4-(4-ethoxycarbonylphenyl)phenyl]ethynyl]benzoate
Names & synonyms
SCHEMBL9805515CGCWYFVASANYMX-UHFFFAOYSA-N1-(4-Carbo-tert.-butoxyphenyl)-2-(4'-carbethoxy-biphenyl-4-yl)-ethyne
Database identifiers
- PubChem CID
- 19985656
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 682
Related reactions
1 records
Compound notes
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