D10D2+ | SBID = 2494 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 6.48 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 3.1 | ||
| 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: | C22H44N4++ | ||
| M / g/mol: | 364.61156 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: D10D2+
- Preferred Abbreviation: 1,1'-(decane-1,10-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium)
- IUPAC Name:
- CAS:
- CID: -1086
- InChiKey: QDZCBATTWHAOIP-UHFFFAOYSA-N
- InChi: InChI=1S/C22H44N4/c1(3-5-7-15-25-17-9-23(10-18-25)11-19-25)2-4-6-8-16-26-20-12-24(13-21-26)14-22-26/h1-22H2/q+2
- CanoSmiles: C(CCCC[N+]12CCN(CC1)CC2)CCCCC[N+]12CCN(CC1)CC2
- IsoSmiles: N12CC[N+](CC2)(CCCCCCCCCC[N+]34CCN(CC4)CC3)CC1
