C141H320O14Si18 — CID 123504314
[2-[[[2-[bis[[dimethyl(pentadecyl)silyl]oxy]-(hydroxymethyl)silyl]ethyl-dimethylsilyl]oxy-[2-[2-[dimethyl(silyloxy)silyl]ethylsilyloxy-dimethylsilyl]ethyl]-[dimethyl-[2-tris[[dimethyl(pentadecyl)silyl]oxy]silylethyl]silyl]oxysilyl]oxy-dimethylsilyl]ethyl-bis[[dimethyl(pentadecyl)silyl]oxy]silyl]methanol (PubChem CID 123504314) has the molecular formula C141H320O14Si18 and a molecular weight of 2745.64 g/mol. Its IUPAC name is [2-[[[2-[bis[[dimethyl(pentadecyl)silyl]oxy]-(hydroxymethyl)silyl]ethyl-dimethylsilyl]oxy-[2-[2-[dimethyl(silyloxy)silyl]ethylsilyloxy-dimethylsilyl]ethyl]-[dimethyl-[2-tris[[dimethyl(pentadecyl)silyl]oxy]silylethyl]silyl]oxysilyl]oxy-dimethylsilyl]ethyl-bis[[dimethyl(pentadecyl)silyl]oxy]silyl]methanol.
| Compound Name | [2-[[[2-[bis[[dimethyl(pentadecyl)silyl]oxy]-(hydroxymethyl)silyl]ethyl-dimethylsilyl]oxy-[2-[2-[dimethyl(silyloxy)silyl]ethylsilyloxy-dimethylsilyl]ethyl]-[dimethyl-[2-tris[[dimethyl(pentadecyl)silyl]oxy]silylethyl]silyl]oxysilyl]oxy-dimethylsilyl]ethyl-bis[[dimethyl(pentadecyl)silyl]oxy]silyl]methanol |
|---|---|
| PubChem CID | 123504314 |
| Molecular Formula | C141H320O14Si18 |
| Molecular Weight | 2745.64 g/mol |
| Exact Mass | 2742.02 |
| IUPAC Name | [2-[[[2-[bis[[dimethyl(pentadecyl)silyl]oxy]-(hydroxymethyl)silyl]ethyl-dimethylsilyl]oxy-[2-[2-[dimethyl(silyloxy)silyl]ethylsilyloxy-dimethylsilyl]ethyl]-[dimethyl-[2-tris[[dimethyl(pentadecyl)silyl]oxy]silylethyl]silyl]oxysilyl]oxy-dimethylsilyl]ethyl-bis[[dimethyl(pentadecyl)silyl]oxy]silyl]methanol |
| SMILES | CCCCCCCCCCCCCCC[Si](C)(C)O[Si](CO)(CC[Si](C)(C)O[Si](CC[Si](C)(C)O[SiH2]CC[Si](C)(C)O[SiH3])(O[Si](C)(C)CC[Si](CO)(O[Si](C)(C)CCCCCCCCCCCCCCC)O[Si](C)(C)CCCCCCCCCCCCCCC)O[Si](C)(C)CC[Si](O[Si](C)(C)CCCCCCCCCCCCCCC)(O[Si](C)(C)CCCCCCCCCCCCCCC)O[Si](C)(C)CCCCCCCCCCCCCCC)O[Si](C)(C)CCCCCCCCCCCCCCC |
| InChI | InChI=1S/C141H320O14Si18/c1-32-39-46-53-60-67-74-81-88-95-102-109-116-124-160(12,13)146-170(140-142,147-161(14,15)125-117-110-103-96-89-82-75-68-61-54-47-40-33-2)136-132-167(26,27)153-172(138-134-159(10,11)145-157-123-131-158(8,9)144-156,154-168(28,29)133-137-171(141-143,148-162(16,17)126-118-111-104-97-90-83-76-69-62-55-48-41-34-3)149-163(18,19)127-119-112-105-98-91-84-77-70-63-56-49-42-35-4)155-169(30,31)135-139-173(150-164(20,21)128-120-113-106-99-92-85-78-71-64-57-50-43-36-5,151-165(22,23)129-121-114-107-100-93-86-79-72-65-58-51-44-37-6)152-166(24,25)130-122-115-108-101-94-87-80-73-66-59-52-45-38-7/h142-143H,32-141,157H2,1-31,156H3 |
| InChIKey | NBLWBHINJRFLLW-UHFFFAOYSA-N |
| XLogP | 50.89 |
| TPSA | 151.22 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 138 |
| Heavy Atoms | 173 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2745.64 |
| LogP ≤ 5 | 50.89 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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