(ethyne-1,2-diyl)di(cyclohexane-1,1-diyl) bis(3-nitrobenzoate)
Chemical Structure Depiction of
(ethyne-1,2-diyl)di(cyclohexane-1,1-diyl) bis(3-nitrobenzoate)
(ethyne-1,2-diyl)di(cyclohexane-1,1-diyl) bis(3-nitrobenzoate)
Compound characteristics
| Compound ID: | 8003-7721 |
| Compound Name: | (ethyne-1,2-diyl)di(cyclohexane-1,1-diyl) bis(3-nitrobenzoate) |
| Molecular Weight: | 520.54 |
| Molecular Formula: | C28 H28 N2 O8 |
| Smiles: | C1CCC(CC1)(C#CC1(CCCCC1)OC(c1cccc(c1)[N+]([O-])=O)=O)OC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1678 |
| logD: | 6.1678 |
| logSw: | -5.9194 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 105.525 |
| InChI Key: | DKSGHBNGBMEANA-UHFFFAOYSA-N |