Basic information
- CAS
89214-74-4- Standard SMILES
CC(CC(C)C(=O)OCC1(c2occ3ccccc23)C=CCC(=O)C1)C(=O)[O-]- InChIKey
JSTXBHKKGPZTGS-UHFFFAOYSA-M- Molecular formula
- C22H23O6-
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.14946345
Names & identifiers
- Preferred name
- 5-{[1-(2-Benzofuran-1-yl)-5-oxocyclohex-2-en-1-yl]methoxy}-2,4-dimethyl-5-oxopentanoate
- IUPAC
- 5-[[1-(2-benzofuran-1-yl)-5-oxocyclohex-2-en-1-yl]methoxy]-2,4-dimethyl-5-oxopentanoate
Names & synonyms
89214-74-4DTXSID907524055-{[1-(2-Benzofuran-1-yl)-5-oxocyclohex-2-en-1-yl]methoxy}-2,4-dimethyl-5-oxopentanoate
Database identifiers
- CAS
89214-74-4- PubChem CID
- 71322760
- DTXSID
DTXSID90752405
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- -1
- Complexity
- 635
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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