9-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-8-nitro-1,4-dioxaspiro[4.5]decane
Chemical Structure Depiction of
9-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-8-nitro-1,4-dioxaspiro[4.5]decane
9-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-8-nitro-1,4-dioxaspiro[4.5]decane
Compound characteristics
| Compound ID: | 8016-2560 |
| Compound Name: | 9-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-8-nitro-1,4-dioxaspiro[4.5]decane |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C17 H21 N O6 |
| Smiles: | CC1(C)CC2(CC(C1[N+]([O-])=O)c1ccc3c(c1)OCO3)OCCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7696 |
| logD: | 2.7673 |
| logSw: | -3.1931 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.665 |
| InChI Key: | HSWNWAPEMBLGIW-CVRLYYSRSA-N |