AC1NELLD
3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Also Known As: 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile|3-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile|5-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)-3-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
| Molecular Formula | C20H22N4O2 |
|---|---|
| Molecular Weight | 350.1743 g/mol |
| LogP | 3.28091 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.1743 |
| Monoisotopic Mass | 350.1743 |
| Heavy Atoms | 26 |
| Complexity | 855.71277 |
Chemical Identifiers
| CAS Number | 1005271-91-9 |
|---|---|
| SMILES | CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CCC4CC3C4(C)C)C |
Product Overview
AC1NELLD (CAS 1005271-91-9), with molecular formula C20H22N4O2 and molecular weight 350.1743 g/mol. IUPAC: 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile.
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