4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
Chemical Structure Depiction of
4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
Compound characteristics
| Compound ID: | 8016-5205 |
| Compound Name: | 4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione |
| Molecular Weight: | 304.41 |
| Molecular Formula: | C17 H20 O3 S |
| Smiles: | Cc1cc(C2CC(=O)OC3CC(C)(C)CC(C2=3)=O)c(C)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4563 |
| logD: | 3.4563 |
| logSw: | -3.8645 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.701 |
| InChI Key: | UXLDXYXOQQXQHC-LBPRGKRZSA-N |