1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol

C146H177NO32 — CID 159512596

About 1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol

1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol (PubChem CID 159512596) has the molecular formula C146H177NO32 and a molecular weight of 2458.00 g/mol. Its IUPAC name is 1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol.

Molecular Properties

• Compound Name: 1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol
• PubChem CID: 159512596
• Molecular Formula: C146H177NO32
• Molecular Weight: 2458.00 g/mol
• Exact Mass: 2456.23
• IUPAC Name: 1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol
• SMILES: OC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)CN(CCOCC(COc1ccccc1)COC(CCc1ccccc1)COC(COc1ccccc1)COC(CCc1ccccc1)COC(O)COc1ccccc1)CCOCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(O)OCc1ccccc1.OCCCCCO
• InChI: InChI=1S/C141H165NO30.C5H12O2/c143-116(89-150-118-54-24-5-25-55-118)90-151-133(96-154-121-60-30-8-31-61-121)105-165-137(100-158-125-68-38-12-39-69-125)107-166-135(98-156-123-64-34-10-35-65-123)104-162-131(94-152-119-56-26-6-27-57-119)84-142(80-82-146-85-115(87-148-117-52-22-4-23-53-117)88-149-129(78-76-112-46-16-1-17-47-112)92-163-134(97-155-122-62-32-9-33-63-122)103-161-130(79-77-113-48-18-2-19-49-113)93-172-141(145)110-169-128-74-44-15-45-75-128)81-83-147-91-132(95-153-120-58-28-7-29-59-120)164-106-136(99-157-124-66-36-11-37-67-124)167-108-138(101-159-126-70-40-13-41-71-126)168-109-139(102-160-127-72-42-14-43-73-127)170-111-140(144)171-86-114-50-20-3-21-51-114;6-4-2-1-3-5-7/h1-75,115-116,129-141,143-145H,76-111H2;6-7H,1-5H2
• InChIKey: MAUBPRCMWLFLPK-UHFFFAOYSA-N
• XLogP: 21.76
• TPSA: 353.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 97
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2458.00
LogP ≤ 5	21.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol?

The IUPAC name of 1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol (CID 159512596) is 1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol.

What is the SMILES notation for 1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol?

The canonical SMILES for 1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol is OC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)CN(CCOCC(COc1ccccc1)COC(CCc1ccccc1)COC(COc1ccccc1)COC(CCc1ccccc1)COC(O)COc1ccccc1)CCOCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(O)OCc1ccccc1.OCCCCCO.

What is the InChIKey of 1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol?

The InChIKey is MAUBPRCMWLFLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C141H165NO30.C5H12O2/c143-116(89-150-118-54-24-5-25-55-118)90-151-133(96-154-121-60-30-8-31-61-121)105-165-137(100-158-125-68-38-12-39-69-125)107-166-135(98-156-123-64-34-10-35-65-123)104-162-131(94-152-119-56-26-6-27-57-119)84-142(80-82-146-85-115(87-148-117-52-22-4-23-53-117)88-149-129(78-76-112-46-16-1-17-47-112)92-163-134(97-155-122-62-32-9-33-63-122)103-161-130(79-77-113-48-18-2-19-49-113)93-172-141(145)110-169-128-74-44-15-45-75-128)81-83-147-91-132(95-153-120-58-28-7-29-59-120)164-106-136(99-157-124-66-36-11-37-67-124)167-108-138(101-159-126-70-40-13-41-71-126)168-109-139(102-160-127-72-42-14-43-73-127)170-111-140(144)171-86-114-50-20-3-21-51-114;6-4-2-1-3-5-7/h1-75,115-116,129-141,143-145H,76-111H2;6-7H,1-5H2.

What are the key properties of 1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol?

1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol has a molecular weight of 2458.00 g/mol, XLogP of 21.76, 97 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-[1-[1-[2-[2-[[1-[1-[1-(1-hydroxy-2-phenoxyethoxy)-4-phenylbutan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-4-phenylbutan-2-yl]oxymethyl]-3-phenoxypropoxy]ethyl-[2-[2-[2-[2-[2-(2-hydroxy-2-phenylmethoxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-ol;pentane-1,5-diol is sourced from PubChem (CID 159512596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).