Ethyl (3,5-di-t-butyl-4-oxocyclohexa-2,5-dienylidene)acetate
Basic information
- Standard SMILES
CCOC(=O)C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1- InChIKey
LKNUTVJHUYBQPK-UHFFFAOYSA-N- Molecular formula
- C18H26O3
- Average molar mass
- 290.4 g/mol
Names & identifiers
- Preferred name
- Ethyl (3,5-di-t-butyl-4-oxocyclohexa-2,5-dienylidene)acetate
- IUPAC
- ethyl 2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetate
Names & synonyms
SCHEMBL4457743LKNUTVJHUYBQPK-UHFFFAOYSA-NEthyl (3,5-di-t-butyl-4-oxocyclohexa-2,5-dienylidene)acetate
Database identifiers
- PubChem CID
- 22019852
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 496
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Related reactions
2 records
Compound notes
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