2~4~-methyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diyl bis(4-butoxybenzoate)
Chemical Structure Depiction of
2~4~-methyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diyl bis(4-butoxybenzoate)
2~4~-methyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diyl bis(4-butoxybenzoate)
Compound characteristics
| Compound ID: | 0053-0005 |
| Compound Name: | 2~4~-methyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diyl bis(4-butoxybenzoate) |
| Molecular Weight: | 634.82 |
| Molecular Formula: | C41 H46 O6 |
| Smiles: | CCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C1(CCC(C)CC1)c1ccc(cc1)OC(c1ccc(cc1)OCCCC)=O |
| Stereo: | ACHIRAL |
| logP: | 10.9633 |
| logD: | 10.9633 |
| logSw: | -5.8641 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.479 |
| InChI Key: | KUOTXHSOMKJUQH-UHFFFAOYSA-N |