2,3-[1,2-phenylenebis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]quinoxaline | SBID = 746 | Compound |
Structure
Molecular Properties
| Interactions: | 9 | ||
| PubChem TPSA/Å2: | 99.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 10.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 381.3 | ||
| Sum Formula: | C26H32N2O8 | ||
| M / g/mol: | 500.5 | ||
| Complexity: | 526.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: macrocycle, typical host
- Name: 2,3-[1,2-phenylenebis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]quinoxaline
- Preferred Abbreviation: 2,3-[1,2-phenylenebis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]quinoxaline
- IUPAC Name: 2,5,8,11,18,21,24,27-octaoxa-29,36-diazatetracyclo[26.8.0.012,17.030,35]hexatriaconta-1(36),12,14,16,28,30,32,34-octaene
- CAS:
- CID: 101558240
- InChiKey: UQCNQQPKEMMQMJ-UHFFFAOYSA-N
- InChi: InChI=1S/C26H32N2O8/c1-2-6-22-21(5-1)27-25-26(28-22)36-20-16-32-12-10-30-14-18-34-24-8-4-3-7-23(24)33-17-13-29-9-11-31-15-19-35-25/h1-8H,9-20H2
- CanoSmiles: C1COCCOC2=NC3=CC=CC=C3N=C2OCCOCCOCCOC4=CC=CC=C4OCCO1
- IsoSmiles: C1COCCOC2=NC3=CC=CC=C3N=C2OCCOCCOCCOC4=CC=CC=C4OCCO1
