1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol

C136H202O10 — CID 138553460

About 1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol

1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol (PubChem CID 138553460) has the molecular formula C136H202O10 and a molecular weight of 1997.10 g/mol. Its IUPAC name is 1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol
• PubChem CID: 138553460
• Molecular Formula: C136H202O10
• Molecular Weight: 1997.10 g/mol
• Exact Mass: 1995.53
• IUPAC Name: 1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol
• SMILES: CCCCCCCCCCCCCCC(COc1cccc(OCC(CCCCCCCCCCCCCC)OCC(CCCCCCCCCCCCCC)OCC(O)COc2c(C(C)c3ccccc3)cc(C(C)c3ccccc3)cc2C(C)c2ccccc2)c1)OCC(CCCCCCCCCCCCCC)OCC(O)COc1c(C(C)c2ccccc2)cc(C(C)c2ccccc2)cc1C(C)c1ccccc1
• InChI: InChI=1S/C136H202O10/c1-11-15-19-23-27-31-35-39-43-47-51-73-90-127(139-101-123(137)103-145-135-131(111(7)117-82-65-57-66-83-117)96-121(109(5)115-78-61-55-62-79-115)97-132(135)112(8)118-84-67-58-68-85-118)107-143-129(92-75-53-49-45-41-37-33-29-25-21-17-13-3)105-141-125-94-77-95-126(100-125)142-106-130(93-76-54-50-46-42-38-34-30-26-22-18-14-4)144-108-128(91-74-52-48-44-40-36-32-28-24-20-16-12-2)140-102-124(138)104-146-136-133(113(9)119-86-69-59-70-87-119)98-122(110(6)116-80-63-56-64-81-116)99-134(136)114(10)120-88-71-60-72-89-120/h55-72,77-89,94-100,109-114,123-124,127-130,137-138H,11-54,73-76,90-93,101-108H2,1-10H3
• InChIKey: SUNGAWRGUAKAEO-UHFFFAOYSA-N
• XLogP: 38.14
• TPSA: 114.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 88
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1997.10
LogP ≤ 5	38.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol?

The IUPAC name of 1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol (CID 138553460) is 1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol.

What is the SMILES notation for 1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol?

The canonical SMILES for 1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol is CCCCCCCCCCCCCCC(COc1cccc(OCC(CCCCCCCCCCCCCC)OCC(CCCCCCCCCCCCCC)OCC(O)COc2c(C(C)c3ccccc3)cc(C(C)c3ccccc3)cc2C(C)c2ccccc2)c1)OCC(CCCCCCCCCCCCCC)OCC(O)COc1c(C(C)c2ccccc2)cc(C(C)c2ccccc2)cc1C(C)c1ccccc1.

What is the InChIKey of 1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol?

The InChIKey is SUNGAWRGUAKAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H202O10/c1-11-15-19-23-27-31-35-39-43-47-51-73-90-127(139-101-123(137)103-145-135-131(111(7)117-82-65-57-66-83-117)96-121(109(5)115-78-61-55-62-79-115)97-132(135)112(8)118-84-67-58-68-85-118)107-143-129(92-75-53-49-45-41-37-33-29-25-21-17-13-3)105-141-125-94-77-95-126(100-125)142-106-130(93-76-54-50-46-42-38-34-30-26-22-18-14-4)144-108-128(91-74-52-48-44-40-36-32-28-24-20-16-12-2)140-102-124(138)104-146-136-133(113(9)119-86-69-59-70-87-119)98-122(110(6)116-80-63-56-64-81-116)99-134(136)114(10)120-88-71-60-72-89-120/h55-72,77-89,94-100,109-114,123-124,127-130,137-138H,11-54,73-76,90-93,101-108H2,1-10H3.

What are the key properties of 1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol?

1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol has a molecular weight of 1997.10 g/mol, XLogP of 38.14, 88 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-[3-[2-[2-[2-hydroxy-3-[2,4,6-tris(1-phenylethyl)phenoxy]propoxy]hexadecoxy]hexadecoxy]phenoxy]hexadecan-2-yloxy]hexadecan-2-yloxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 138553460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).