2-Hydroxynaphthalene-polyethylene-glycol-polymer | SBID = 213 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | |||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C98H184O45 | ||
| M / g/mol: | 2082.51 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, typical guest
- Name: 2-Hydroxynaphthalene-polyethylene-glycol-polymer
- Preferred Abbreviation: 2-Hydroxynaphthalene-polyethylene-glycol
- IUPAC Name: 1-(naphthalen-2-yl)-45-(octaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayn-1-yl)pentatetracontaoxidane compound with dihydrogen (1:88)
- CAS:
- CID: -13
- InChiKey: INDVLPGFIALUJO-UHFFFAOYSA-N
- InChi: InChI=1S/C98H184O45/c99-7-8-100-9-10-101-11-12-102-13-14-103-15-16-104-17-18-105-19-20-106-21-22-107-23-24-108-25-26-109-27-28-110-29-30-111-31-32-112-33-34-113-35-36-114-37-38-115-39-40-116-41-42-117-43-44-118-45-46-119-47-48-120-49-50-121-51-52-122-53-54-123-55-56-124-57-58-125-59-60-126-61-62-127-63-64-128-65-66-129-67-68-130-69-70-131-71-72-132-73-74-133-75-76-134-77-78-135-79-80-136-81-82-137-83-84-138-85-86-139-87-88-140-89-90-141-91-92-142-93-94-143-98-6-5-96-3-1-2-4-97(96)95-98/h1-6,95,99H,7-94H2
- CanoSmiles: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC1=CC2=CC=CC=C2C=C1
- IsoSmiles: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC1=CC2=CC=CC=C2C=C1
