Basic information
- Standard SMILES
CCOC(=O)C=C(C=CCCCCCCOCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC- InChIKey
KUIPNGSCVBRAKV-UHFFFAOYSA-N- Molecular formula
- C24H30F6O3
- Average molar mass
- 480.5 g/mol
- Monoisotopic mass
- 480.20991379
Names & identifiers
- Preferred name
- Ethyl 11-(3',5'-bistrifluoromethylbenzyloxy)-3-ethyl-undeca-2, 4-dienoate
- IUPAC
- ethyl 11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethylundeca-2,4-dienoate
Names & synonyms
SCHEMBL9684391Ethyl 11-(3',5'-bistrifluoromethylbenzyloxy)-3-ethyl-undeca-2, 4-dienoateethyl 11-(3',5'-bistrifluoromethylbenzyloxy)-3-ethyl-undeca-2, 4- dienoate
Database identifiers
- PubChem CID
- 54014012
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 603
Related reactions
2 records
Compound notes
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