C161H376O41Si26 — CID 177292558
2-[2-[2-[3-[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethoxy]ethanol (PubChem CID 177292558) has the molecular formula C161H376O41Si26 and a molecular weight of 3698.97 g/mol. Its IUPAC name is 2-[2-[2-[3-[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethoxy]ethanol.
| Compound Name | 2-[2-[2-[3-[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethoxy]ethanol |
|---|---|
| PubChem CID | 177292558 |
| Molecular Formula | C161H376O41Si26 |
| Molecular Weight | 3698.97 g/mol |
| Exact Mass | 3694.13 |
| IUPAC Name | 2-[2-[2-[3-[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethoxy]ethanol |
| SMILES | CCCCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCCCCCCCCCCCCCC)O[Si](C)(CCCCCCCCCCCCCCCC)O[Si](C)(CCCCCCCCCCCCCCCC)O[Si](C)(CCCCCCCCCCCCCCCC)O[Si](C)(CCCOCCOCCOCCO)O[Si](C)(CCCOCCOCCOCCO)O[Si](C)(CCCOCCOCCOCCO)O[Si](C)(CCCOCCOCCOCCO)O[Si](C)(C)C |
| InChI | InChI=1S/C161H376O41Si26/c1-51-56-61-66-71-76-81-86-91-96-101-106-111-116-153-221(43,194-219(40,41)193-218(38,39)192-217(36,37)191-216(34,35)190-215(32,33)189-214(30,31)188-213(28,29)187-212(26,27)186-211(24,25)185-210(22,23)184-209(20,21)183-208(18,19)182-207(16,17)181-206(14,15)180-205(12,13)178-203(6,7)8)196-222(44,154-117-112-107-102-97-92-87-82-77-72-67-62-57-52-2)197-223(45,155-118-113-108-103-98-93-88-83-78-73-68-63-58-53-3)198-224(46,156-119-114-109-104-99-94-89-84-79-74-69-64-59-54-4)199-225(47,157-120-115-110-105-100-95-90-85-80-75-70-65-60-55-5)200-227(49,160-123-131-168-139-147-176-151-143-172-135-127-164)202-228(50,161-124-132-169-140-148-177-152-144-173-136-128-165)201-226(48,159-122-130-167-138-146-175-150-142-171-134-126-163)195-220(42,179-204(9,10)11)158-121-129-166-137-145-174-149-141-170-133-125-162/h162-165H,51-161H2,1-50H3 |
| InChIKey | HKQDRBJFBLMDKY-UHFFFAOYSA-N |
| XLogP | 48.38 |
| TPSA | 422.43 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 173 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3698.97 |
| LogP ≤ 5 | 48.38 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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