4-[6-(acetyloxy)-7-chloro-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl]-6-chloro-1,3-phenylene diacetate
Chemical Structure Depiction of
4-[6-(acetyloxy)-7-chloro-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl]-6-chloro-1,3-phenylene diacetate
4-[6-(acetyloxy)-7-chloro-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl]-6-chloro-1,3-phenylene diacetate
Compound characteristics
| Compound ID: | 8014-9016 |
| Compound Name: | 4-[6-(acetyloxy)-7-chloro-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl]-6-chloro-1,3-phenylene diacetate |
| Molecular Weight: | 547.43 |
| Molecular Formula: | C28 H28 Cl2 O7 |
| Smiles: | CC(=O)Oc1cc(c(cc1C12CCCC1C1(CCCC1)c1cc(c(cc1O2)OC(C)=O)[Cl])[Cl])OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6749 |
| logD: | 5.6749 |
| logSw: | -5.9598 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.695 |
| InChI Key: | PBOABBFDKGNYMS-UHFFFAOYSA-N |