D12D2+ | SBID = 2496 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 6.48 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 4.18 | ||
| Charge: | 2.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C24H48N4++ | ||
| M / g/mol: | 392.66472 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: D12D2+
- Preferred Abbreviation: 1,1'-(dodecane-1,12-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium)
- IUPAC Name:
- CAS:
- CID: -1088
- InChiKey: AFLIKIXFVBJYPC-UHFFFAOYSA-N
- InChi: InChI=1S/C24H48N4/c1(3-5-7-9-17-27-19-11-25(12-20-27)13-21-27)2-4-6-8-10-18-28-22-14-26(15-23-28)16-24-28/h1-24H2/q+2
- CanoSmiles: C(CCCCC[N+]12CCN(CC1)CC2)CCCCCC[N+]12CCN(CC1)CC2
- IsoSmiles: N12CC[N+](CC2)(CCCCCCCCCCCC[N+]34CCN(CC4)CC3)CC1
