D6D2+ | SBID = 2489 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 6.48 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 0.93 | ||
| 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: | C18H36N4++ | ||
| M / g/mol: | 308.50524 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: D6D2+
- Preferred Abbreviation: 1,1'-(hexane-1,6-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium)
- IUPAC Name:
- CAS:
- CID: -1081
- InChiKey: HKQMWSYPBZQCRU-UHFFFAOYSA-N
- InChi: InChI=1S/C18H36N4/c1(3-11-21-13-5-19(6-14-21)7-15-21)2-4-12-22-16-8-20(9-17-22)10-18-22/h1-18H2/q+2
- CanoSmiles: C(CC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2
- IsoSmiles: N1(CC2)CC[N+]2(CCCCCC[N+]3(CC4)CCN4CC3)CC1
