2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one
Basic information
- CAS
36897-05-9- Standard SMILES
CC(C)(C)C1=CC(N2CCOCC2)(C(C)(C)C)C=C(C(C)(C)C)C1=O- InChIKey
RFDSPYITBNYHCO-UHFFFAOYSA-N- Molecular formula
- C22H37NO2
- Average molar mass
- 347.5 g/mol
- Monoisotopic mass
- 347.28242942
Names & identifiers
- Preferred name
- 2,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-one
- IUPAC
- 2,4,6-tritert-butyl-4-morpholin-4-ylcyclohexa-2,5-dien-1-one
Names & synonyms
36897-05-9NSC342463DTXSID503192352,4,6-Tri-tert-butyl-4-(morpholin-4-yl)cyclohexa-2,5-dien-1-oneNSC-342463DS-0153094-morpholin-4-yl-2,4,6-tritert-butyl-cyclohexa-2,5-dien-1-one
Database identifiers
- CAS
36897-05-9- PubChem CID
- 334944
- DTXSID
DTXSID50319235
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 551
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Compound notes
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