[3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium)

C132H261O59P13Y18-18 — CID 147680642

About [3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium)

[3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium) (PubChem CID 147680642) has the molecular formula C132H261O59P13Y18-18 and a molecular weight of 4795.45 g/mol. Its IUPAC name is [3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium).

Molecular Properties

• Compound Name: [3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium)
• PubChem CID: 147680642
• Molecular Formula: C132H261O59P13Y18-18
• Molecular Weight: 4795.45 g/mol
• Exact Mass: 4793.72
• IUPAC Name: [3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium)
• SMILES: [CH2-]CCC(CC[CH2-])(CC[CH2-])COCC(COP(=O)(O)OCCCCCCC)OP(=O)(O)OCCCCCCOP(=O)(O)OCC(COCC(CC[CH2-])(CC[CH2-])CC[CH2-])OP(=O)(O)OCCCCCCOP(=O)(O)OCC(COCC(CC[CH2-])(CC[CH2-])CC[CH2-])OP(=O)(O)OCC(C)(COP(=O)(O)OCCCCCCO)COP(=O)(O)OC(COCC(CC[CH2-])(CC[CH2-])CC[CH2-])COP(=O)(O)OCCCCCCOP(=O)(O)OC(COCC(CC[CH2-])(CC[CH2-])CC[CH2-])COP(=O)(O)OCCCCCOP(=O)(O)OC(COCC(CC[CH2-])(CC[CH2-])CC[CH2-])COP(=O)(O)OCCCCCCC.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C132H261O59P13.18Y/c1-22-42-44-47-58-88-166-192(134,135)177-105-120(99-160-114-127(69-24-3,70-25-4)71-26-5)186-199(148,149)173-95-64-53-50-61-90-168-194(138,139)179-106-121(100-161-115-128(72-27-6,73-28-7)74-29-8)187-200(150,151)174-96-65-54-51-62-91-169-195(140,141)181-109-124(103-164-118-131(81-36-15,82-37-16)83-38-17)190-203(156,157)184-112-126(21,111-183-198(146,147)172-93-60-49-46-57-87-133)113-185-204(158,159)191-125(104-165-119-132(84-39-18,85-40-19)86-41-20)110-182-196(142,143)170-92-63-52-55-66-97-175-201(152,153)188-122(101-162-116-129(75-30-9,76-31-10)77-32-11)108-180-197(144,145)171-94-67-56-68-98-176-202(154,155)189-123(102-163-117-130(78-33-12,79-34-13)80-35-14)107-178-193(136,137)167-89-59-48-45-43-23-2;;;;;;;;;;;;;;;;;;/h120-125,133H,3-20,22-119H2,1-2,21H3,(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159);;;;;;;;;;;;;;;;;;/q-18
• InChIKey: CIOLCGUFEGVDTC-UHFFFAOYSA-N
• XLogP: 33.32
• TPSA: 800.49 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 46
• Rotatable Bonds: 155
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4795.45
LogP ≤ 5	33.32
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium)?

The IUPAC name of [3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium) (CID 147680642) is [3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium).

What is the SMILES notation for [3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium)?

The canonical SMILES for [3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium) is [CH2-]CCC(CC[CH2-])(CC[CH2-])COCC(COP(=O)(O)OCCCCCCC)OP(=O)(O)OCCCCCCOP(=O)(O)OCC(COCC(CC[CH2-])(CC[CH2-])CC[CH2-])OP(=O)(O)OCCCCCCOP(=O)(O)OCC(COCC(CC[CH2-])(CC[CH2-])CC[CH2-])OP(=O)(O)OCC(C)(COP(=O)(O)OCCCCCCO)COP(=O)(O)OC(COCC(CC[CH2-])(CC[CH2-])CC[CH2-])COP(=O)(O)OCCCCCCOP(=O)(O)OC(COCC(CC[CH2-])(CC[CH2-])CC[CH2-])COP(=O)(O)OCCCCCOP(=O)(O)OC(COCC(CC[CH2-])(CC[CH2-])CC[CH2-])COP(=O)(O)OCCCCCCC.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of [3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium)?

The InChIKey is CIOLCGUFEGVDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H261O59P13.18Y/c1-22-42-44-47-58-88-166-192(134,135)177-105-120(99-160-114-127(69-24-3,70-25-4)71-26-5)186-199(148,149)173-95-64-53-50-61-90-168-194(138,139)179-106-121(100-161-115-128(72-27-6,73-28-7)74-29-8)187-200(150,151)174-96-65-54-51-62-91-169-195(140,141)181-109-124(103-164-118-131(81-36-15,82-37-16)83-38-17)190-203(156,157)184-112-126(21,111-183-198(146,147)172-93-60-49-46-57-87-133)113-185-204(158,159)191-125(104-165-119-132(84-39-18,85-40-19)86-41-20)110-182-196(142,143)170-92-63-52-55-66-97-175-201(152,153)188-122(101-162-116-129(75-30-9,76-31-10)77-32-11)108-180-197(144,145)171-94-67-56-68-98-176-202(154,155)189-123(102-163-117-130(78-33-12,79-34-13)80-35-14)107-178-193(136,137)167-89-59-48-45-43-23-2;;;;;;;;;;;;;;;;;;/h120-125,133H,3-20,22-119H2,1-2,21H3,(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159);;;;;;;;;;;;;;;;;;/q-18;;;;;;;;;;;;;;;;;;.

What are the key properties of [3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium)?

[3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium) has a molecular weight of 4795.45 g/mol, XLogP of 33.32, 155 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2,2-di(propyl)pentoxy]-2-[5-[[3-[2,2-di(propyl)pentoxy]-2-[6-[[3-[2,2-di(propyl)pentoxy]-2-[[2-[[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[6-[[1-[2,2-di(propyl)pentoxy]-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate;octadecakis(yttrium) is sourced from PubChem (CID 147680642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).