2-[(4,4-Dimethyl-2,6-dioxo-cyclohexyl)-(4-methoxyphenyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione
Basic information
- CAS
19419-24-0- Standard SMILES
COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1- InChIKey
YGUOOSFLZXPOAS-UHFFFAOYSA-N- Molecular formula
- C24H30O5
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.20932405
Names & identifiers
- Preferred name
- 2-[(4,4-Dimethyl-2,6-dioxo-cyclohexyl)-(4-methoxyphenyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione
- IUPAC
- 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(4-methoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Names & synonyms
19419-24-02-[(4,4-dimethyl-2,6-dioxo-cyclohexyl)-(4-methoxyphenyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(4-methoxyphenyl)methyl]-5,5-dimethyl-2-cyclohexen-1-one2,2'-((4-methoxyphenyl)methylene)bis(5,5-dimethylcyclohexane-1,3-dione)2,2'-[(4-Methoxyphenyl)methylene]bis(5,5-dimethylcyclohexane-1,3-dione)Tetraketone, 8NSC343982Oprea1_488865Oprea1_6445932-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(4-methoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dioneMLS000779837CHEMBL1498871
Show more names
BDBM86074DTXSID50319356HMS2787J18STL320780AKOS002663141NSC-343982SMR000420029DS-012694
Database identifiers
- CAS
19419-24-0- PubChem CID
- 335343
- DTXSID
DTXSID50319356- ChEMBL
CHEMBL1498871
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 608
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…