tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
Basic information
- CAS
1772-63-0- Standard SMILES
CC(C)(C)OC(=O)C1C(=O)CC(c2ccccc2)C1c1ccccc1- InChIKey
HUINMZVYBSWLCT-UHFFFAOYSA-N- Molecular formula
- C22H24O3
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.17254462
Names & identifiers
- Preferred name
- tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
- IUPAC
- tert-butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
Names & synonyms
1772-63-0tert-butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylateDTXSID20291751RefChem:383683DTXCID70242894NSC77739NSC-77739
Database identifiers
- CAS
1772-63-0- PubChem CID
- 254064
- DTXSID
DTXSID20291751
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 478
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Compound notes
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