7-methyl-1,2,5a,6,9,9a-hexahydro-1,4-epoxy-3-benzoxepin-5(4H)-one
Chemical Structure Depiction of
7-methyl-1,2,5a,6,9,9a-hexahydro-1,4-epoxy-3-benzoxepin-5(4H)-one
7-methyl-1,2,5a,6,9,9a-hexahydro-1,4-epoxy-3-benzoxepin-5(4H)-one
Compound characteristics
| Compound ID: | 8015-2132 |
| Compound Name: | 7-methyl-1,2,5a,6,9,9a-hexahydro-1,4-epoxy-3-benzoxepin-5(4H)-one |
| Molecular Weight: | 194.23 |
| Molecular Formula: | C11 H14 O3 |
| Smiles: | CC1CC2C(CC=1)C1COC(C2=O)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7976 |
| logD: | 1.7976 |
| logSw: | -2.472 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.1083 |
| InChI Key: | HDBHANIRFZRXAB-UHFFFAOYSA-N |