[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate

C138H151F17O32 — CID 134997803

About [4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate

[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate (PubChem CID 134997803) has the molecular formula C138H151F17O32 and a molecular weight of 2644.66 g/mol. Its IUPAC name is [4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate
• PubChem CID: 134997803
• Molecular Formula: C138H151F17O32
• Molecular Weight: 2644.66 g/mol
• Exact Mass: 2642.99
• IUPAC Name: [4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate
• SMILES: CC(=O)OC1C(OCC2OC(OCC3OC(OC/C=C\COCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(OC(=O)C(C)(C)C)C(OC4OC(COCc5ccccc5)C(OCc5ccccc5)C(OCc5ccccc5)C4OC(C)=O)C3OCc3ccccc3)C(OC(=O)C(C)(C)C)C(OC3OC(COCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3OC(C)=O)C2OCc2ccccc2)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
• InChI: InChI=1S/C138H151F17O32/c1-88(156)176-117-112(171-80-99-62-37-18-38-63-99)107(166-75-94-52-27-13-28-53-94)102(83-162-72-91-46-21-10-22-47-91)179-123(117)174-87-106-111(170-79-98-60-35-17-36-61-98)116(185-126-119(178-90(3)158)114(173-82-101-66-41-20-42-67-101)109(168-77-96-56-31-15-32-57-96)104(183-126)85-164-74-93-50-25-12-26-51-93)121(187-128(160)130(7,8)9)124(181-106)175-86-105-110(169-78-97-58-33-16-34-59-97)115(184-125-118(177-89(2)157)113(172-81-100-64-39-19-40-65-100)108(167-76-95-54-29-14-30-55-95)103(182-125)84-163-73-92-48-23-11-24-49-92)120(186-127(159)129(4,5)6)122(180-105)165-71-44-43-69-161-70-45-68-131(139,140)132(141,142)133(143,144)134(145,146)135(147,148)136(149,150)137(151,152)138(153,154)155/h10-44,46-67,102-126H,45,68-87H2,1-9H3/b44-43-
• InChIKey: IVGDCRPFKMEZMA-HFDYVGAYSA-N
• XLogP: 24.84
• TPSA: 334.56 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 66
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2644.66
LogP ≤ 5	24.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate?

The IUPAC name of [4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate (CID 134997803) is [4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate.

What is the SMILES notation for [4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate?

The canonical SMILES for [4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate is CC(=O)OC1C(OCC2OC(OCC3OC(OC/C=C\COCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(OC(=O)C(C)(C)C)C(OC4OC(COCc5ccccc5)C(OCc5ccccc5)C(OCc5ccccc5)C4OC(C)=O)C3OCc3ccccc3)C(OC(=O)C(C)(C)C)C(OC3OC(COCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3OC(C)=O)C2OCc2ccccc2)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.

What is the InChIKey of [4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate?

The InChIKey is IVGDCRPFKMEZMA-HFDYVGAYSA-N. The full InChI is InChI=1S/C138H151F17O32/c1-88(156)176-117-112(171-80-99-62-37-18-38-63-99)107(166-75-94-52-27-13-28-53-94)102(83-162-72-91-46-21-10-22-47-91)179-123(117)174-87-106-111(170-79-98-60-35-17-36-61-98)116(185-126-119(178-90(3)158)114(173-82-101-66-41-20-42-67-101)109(168-77-96-56-31-15-32-57-96)104(183-126)85-164-74-93-50-25-12-26-51-93)121(187-128(160)130(7,8)9)124(181-106)175-86-105-110(169-78-97-58-33-16-34-59-97)115(184-125-118(177-89(2)157)113(172-81-100-64-39-19-40-65-100)108(167-76-95-54-29-14-30-55-95)103(182-125)84-163-73-92-48-23-11-24-49-92)120(186-127(159)129(4,5)6)122(180-105)165-71-44-43-69-161-70-45-68-131(139,140)132(141,142)133(143,144)134(145,146)135(147,148)136(149,150)137(151,152)138(153,154)155/h10-44,46-67,102-126H,45,68-87H2,1-9H3/b44-43-.

What are the key properties of [4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate?

[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate has a molecular weight of 2644.66 g/mol, XLogP of 24.84, 66 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[[4-[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-6-[[3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 134997803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).