4,4,5,5-tetramethyl-2-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane
Formula:C20H30O4B2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4,4,5,5-tetramethyl-2-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane is a drug-like molecule.
| MolName | 4,4,5,5-tetramethyl-2-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane |
| MolecularFormula | C20H30O4B2 |
| Smiles | CC1(C)OB(/C=C(/B2OC(C)(C)C(C)(C)O2)\c2ccccc2)OC1(C)C |
| InChI | InChI=1S/C20H30B2O4/c1-17(2)18(3,4)24-21(23-17)14-16(15-12-10-9-11-13-15)22-25-19(5,6)20(7,8)26-22/h9-14H,1-8H3 |
| InChIK | VQWACXAYGMFHOQ-UHFFFAOYSA-N |
| TotalMolweight | 356.076 |
| Molweight | 356.076 |
| MonoisotopicMass | 356.23302 |
| CLogP | 2.898 |
| CLogS | -2.244 |
| H Acceptors | 4 |
| TotalSurfaceArea | 279.89 |
| Relative PSA | 0.14291 |
| PolarSurfaceArea | 36.92 |
| Druglikeness | -20.873 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | unwanted atom |
| Shape Index | 0.38462 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 16 |
| Symmetricatoms | 12 |
| StereoCon |
Click to Load Molecule:
1 - 4,4,5,5-tetramethyl-2-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane | 2 - 4,4,5,5-tetramethyl-2-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off