2-Naphthyl-polyethylene-glycol-polymer | SBID = 1764 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 46.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C100H187NO46 | ||
| M / g/mol: | 2139.53388 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, typical guest
- Name: 2-Naphthyl-polyethylene-glycol-polymer
- Preferred Abbreviation: 2-Naphthyl-polyethylene-glycol
- IUPAC Name:
- CAS:
- CID: -710
- InChiKey: BGTPYCBNHIEHOC-UHFFFAOYSA-N
- InChi: InChI=1S/C100H187NO46/c1-103-8-9-104-10-11-105-12-13-106-14-15-107-16-17-108-18-19-109-20-21-110-22-23-111-24-25-112-26-27-113-28-29-114-30-31-115-32-33-116-34-35-117-36-37-118-38-39-119-40-41-120-42-43-121-44-45-122-46-47-123-48-49-124-50-51-125-52-53-126-54-55-127-56-57-128-58-59-129-60-61-130-62-63-131-64-65-132-66-67-133-68-69-134-70-71-135-72-73-136-74-75-137-76-77-138-78-79-139-80-81-140-82-83-141-84-85-142-86-87-143-88-89-144-90-91-145-92-93-146-94-95-147-100(102)101-99-7-6-97-4-2-3-5-98(97)96-99/h2-7,96H,8-95H2,1H3,(H,101,102)
- CanoSmiles: O=C(NC1=CC2=CC=CC=C2C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
- IsoSmiles: O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)NC1=CC2=CC=CC=C2C=C1
