4-(2-{3-[(E)-2-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-vinyl]phenyl}ethyl)-morpholine
Basic information
- CAS
1010104-35-4- Standard SMILES
CC1(C)OB(/C=C/c2cccc(CCN3CCOCC3)c2)OC1(C)C- InChIKey
DPGDNPINKZDSMJ-CSKARUKUSA-N- Molecular formula
- C20H30BNO3
- Average molar mass
- 343.3 g/mol
- Monoisotopic mass
- 343.231874
Names & identifiers
- Preferred name
- 4-(2-{3-[(E)-2-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-vinyl]phenyl}ethyl)-morpholine
- IUPAC
- 4-[2-[3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethyl]morpholine
Names & synonyms
SCHEMBL3574504DPGDNPINKZDSMJ-CSKARUKUSA-NDTXSID6011202631010104-35-44-(2-{3-[(E)-2-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-vinyl]phenyl}ethyl)-morpholine4-(2-{3-[(E)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl}ethyl)morpholine4-[2-[3-[(1E)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethyl]morpholine
Database identifiers
- CAS
1010104-35-4- PubChem CID
- 59239792
- DTXSID
DTXSID601120263
Properties
Computed structural properties
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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