QQ4
Summary
| Name: | Hexa Vinylpyrrolidone K15 |
| Synonyms: | 1,1',1'',1''',1'''',1'''''-[(3R,5R,7R,9S,11R)-dodecane-1,3,5,7,9,11-hexayl]hexa(pyrrolidin-2-one) |
| Formula: | C36 H56 N6 O6 |
| Formal charge: | 0 |
| Formula weight: | 668.866 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,1',1'',1''',1'''',1'''''-[(3R,5R,7R,9S,11R)-dodecane-1,3,5,7,9,11-hexayl]hexa(pyrrolidin-2-one) |
| OpenEye OEToolkits | 2.0.7 | 1-[(3~{R},5~{R},7~{R},9~{S},11~{R})-3,5,7,9,11-pentakis(2-oxidanylidenepyrrolidin-1-yl)dodecyl]pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CC(CC(N1CCCC1=O)CC(N2C(CCC2)=O)CC(N3CCCC3=O)CC(C)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O |
| InChI | InChI | 1.03 | InChI=1S/C36H56N6O6/c1-26(38-16-3-9-32(38)44)22-28(40-18-5-11-34(40)46)24-30(42-20-7-13-36(42)48)25-29(41-19-6-12-35(41)47)23-27(39-17-4-10-33(39)45)14-21-37-15-2-8-31(37)43/h26-30H,2-25H2,1H3/t26-,27-,28+,29-,30-/m1/s1 |
| InChIKey | InChI | 1.03 | OFPQNVWJHZVWCZ-CMPUJJQDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](C[C@@H](C[C@H](C[C@@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O |
| SMILES | CACTVS | 3.385 | C[CH](C[CH](C[CH](C[CH](C[CH](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C[C@@H](C[C@H](C[C@@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CC(CC(CC(CC(CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O |
