2-[(2,6-di-tert-butyl-4H-pyran-4-ylidene)methyl]-4-[(2,6-di-tert-butylpyrylium-4-yl)methylidene]-3-oxocyclobut-1-en-1-olate
Chemical Structure Depiction of
2-[(2,6-di-tert-butyl-4H-pyran-4-ylidene)methyl]-4-[(2,6-di-tert-butylpyrylium-4-yl)methylidene]-3-oxocyclobut-1-en-1-olate
2-[(2,6-di-tert-butyl-4H-pyran-4-ylidene)methyl]-4-[(2,6-di-tert-butylpyrylium-4-yl)methylidene]-3-oxocyclobut-1-en-1-olate
Compound characteristics
| Compound ID: | 1495-0706 |
| Compound Name: | 2-[(2,6-di-tert-butyl-4H-pyran-4-ylidene)methyl]-4-[(2,6-di-tert-butylpyrylium-4-yl)methylidene]-3-oxocyclobut-1-en-1-olate |
| Molecular Weight: | 490.68 |
| Molecular Formula: | C32 H42 O4 |
| Smiles: | CC(C)(C)C1=CC(=CC2=C(/C(=C/C3=CC(C(C)(C)C)=[O+]C(=C3)C(C)(C)C)C2=O)[O-])C=C(C(C)(C)C)O1 |
| Stereo: | ACHIRAL |
| logP: | 7.7861 |
| logD: | 7.7861 |
| logSw: | -5.7473 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.686 |
| InChI Key: | OYKPUODFGNFGBZ-UHFFFAOYSA-N |