rel-(5aR,6R,9aS)-6-methyl-1,2,5a,6,9,9a-hexahydro-1,4-epoxy-3-benzoxepin-5(4H)-one
Chemical Structure Depiction of
rel-(5aR,6R,9aS)-6-methyl-1,2,5a,6,9,9a-hexahydro-1,4-epoxy-3-benzoxepin-5(4H)-one
rel-(5aR,6R,9aS)-6-methyl-1,2,5a,6,9,9a-hexahydro-1,4-epoxy-3-benzoxepin-5(4H)-one
Compound characteristics
| Compound ID: | 8015-2130 |
| Compound Name: | rel-(5aR,6R,9aS)-6-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: | [H][C@@]12CC=C[C@@H](C)[C@@]2([H])C(C2OCC1O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1527 |
| logD: | 1.1527 |
| logSw: | -1.3005 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.1083 |
| InChI Key: | AQERSWBBCICMMF-IAACVSQYSA-N |