3-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
Chemical Structure Depiction of
3-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
3-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
Compound characteristics
| Compound ID: | 8013-1969 |
| Compound Name: | 3-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid |
| Molecular Weight: | 398.41 |
| Molecular Formula: | C22 H22 O7 |
| Smiles: | CCCCC1(C)OC(C(=Cc2ccc(c3cc(ccc3C)C(O)=O)o2)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3352 |
| logD: | 2.2412 |
| logSw: | -5.1508 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.811 |
| InChI Key: | UNPHRBXNIYLJTI-UHFFFAOYSA-N |