diethyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate
Basic information
- CAS
5791-81-1- Standard SMILES
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1/C=C/c1ccccc1- InChIKey
WILIVLNMUBRNBN-VAWYXSNFSA-N- Molecular formula
- C21H26O6
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.17293854
Names & identifiers
- Preferred name
- diethyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate
- IUPAC
- diethyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate
Names & synonyms
diethyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylateMLS0001089335791-81-1SMR000104881diethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylateOpera_ID_1878regid7973157CHEMBL1413010DTXSID30415486WILIVLNMUBRNBN-VAWYXSNFSA-NHMS1513C21HMS2177G17
Show more names
STL357400AKOS002123317AKOS021608849CCG-201203IDI1_029943AB00097122-01AG-205/11370050SR-01000592847
Database identifiers
- CAS
5791-81-1- PubChem CID
- 5310652
- DTXSID
DTXSID30415486- ChEMBL
CHEMBL1413010
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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