Dipropan-2-yl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Basic information
- CAS
1005095-16-8- Standard SMILES
COc1cc(C2C(C(=O)OC(C)C)C(=O)CC(C)(O)C2C(=O)OC(C)C)ccc1O- InChIKey
FWDVEWRYQLATFP-UHFFFAOYSA-N- Molecular formula
- C22H30O8
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.19406791
Names & identifiers
- Preferred name
- Dipropan-2-yl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
- IUPAC
- dipropan-2-yl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Names & synonyms
1005095-16-8dipropan-2-yl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate1,3-Bis(1-methylethyl) 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylateOprea1_290313Oprea1_638081DTXSID201110341STL240065AKOS001686008AKOS022005659CCG-115040AT-057/13890110di(propan-2-yl) 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Show more names
diisopropyl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylatediisopropyl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Database identifiers
- CAS
1005095-16-8- PubChem CID
- 3133183
- DTXSID
DTXSID201110341
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 645
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Compound notes
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