2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate

C107H133IO30Si — CID 11607886

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate
SMILESCOCCOCCOCCOC(=O)c1cc(I)cc(C#Cc2cc(C(=O)OCCOCCOCCOC)cc(C#Cc3cc(C#Cc4cc(C#Cc5cc(C(=O)OCCOCCOCCOC)cc(C#Cc6cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(C(=O)OCCOCCOCCOC)c6)c5C)cc(C(=O)OCCOCCOCCOC)c4)cc(C(=O)OCCOCCOCCOC)c3)c2C)c1
InChIInChI=1S/C107H133IO30Si/c1-79(2)139(80(3)4,81(5)6)62-25-90-65-88(70-97(72-90)104(111)135-58-52-129-46-40-123-34-28-117-11)19-23-93-76-99(106(113)137-60-54-131-48-42-125-36-30-119-13)74-91(82(93)7)21-17-86-63-84(66-95(68-86)102(109)133-56-50-127-44-38-121-32-26-115-9)15-16-85-64-87(69-96(67-85)103(110)134-57-51-128-45-39-122-33-27-116-10)18-22-92-75-100(107(114)138-61-55-132-49-43-126-37-31-120-14)77-94(83(92)8)24-20-89-71-98(78-101(108)73-89)105(112)136-59-53-130-47-41-124-35-29-118-12/h63-81H,26-61H2,1-14H3
InChIKeyMBHQQWWPPHRKJR-UHFFFAOYSA-N
MW2054.20 g/mol
LogP12.49
Rot. Bonds63

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate (PubChem CID 11607886) has the molecular formula C107H133IO30Si and a molecular weight of 2054.20 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate
PubChem CID11607886
Molecular FormulaC107H133IO30Si
Molecular Weight2054.20 g/mol
Exact Mass2052.77
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate
SMILESCOCCOCCOCCOC(=O)c1cc(I)cc(C#Cc2cc(C(=O)OCCOCCOCCOC)cc(C#Cc3cc(C#Cc4cc(C#Cc5cc(C(=O)OCCOCCOCCOC)cc(C#Cc6cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(C(=O)OCCOCCOCCOC)c6)c5C)cc(C(=O)OCCOCCOCCOC)c4)cc(C(=O)OCCOCCOCCOC)c3)c2C)c1
InChIInChI=1S/C107H133IO30Si/c1-79(2)139(80(3)4,81(5)6)62-25-90-65-88(70-97(72-90)104(111)135-58-52-129-46-40-123-34-28-117-11)19-23-93-76-99(106(113)137-60-54-131-48-42-125-36-30-119-13)74-91(82(93)7)21-17-86-63-84(66-95(68-86)102(109)133-56-50-127-44-38-121-32-26-115-9)15-16-85-64-87(69-96(67-85)103(110)134-57-51-128-45-39-122-33-27-116-10)18-22-92-75-100(107(114)138-61-55-132-49-43-126-37-31-120-14)77-94(83(92)8)24-20-89-71-98(78-101(108)73-89)105(112)136-59-53-130-47-41-124-35-29-118-12/h63-81H,26-61H2,1-14H3
InChIKeyMBHQQWWPPHRKJR-UHFFFAOYSA-N
XLogP12.49
TPSA323.94 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds63
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002054.20
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate with MolForge

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-(2-trimethylsilylethynyl)-5-[2-tri(propan-2-yl)silylethynyl]benzoate
CID 11628096
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-(2-trimethylsilylethynyl)benzoate
CID 102463340
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-bromo-5-iodo-4-methylbenzoate
CID 11705792
2-(2-methoxyethoxy)ethyl 3-chloro-5-methylbenzoate
CID 176947358
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
ethyl 4-[(4-methoxyphenyl)methoxy]-3,5-bis[4-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]buta-1,3-diynyl]benzoate
CID 10843386
hexakis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] heptacyclo[49.3.1.16,10.115,19.124,28.133,37.142,46]hexaconta-1(55),6(60),7,9,15(59),16,18,24(58),25,27,33,35,37(57),42,44,46(56),51,53-octadecaen-2,4,11,13,20,22,29,31,38,40,47,49-dodecayne-8,17,26,35,44,53-hexacarboxylate
CID 101145342
bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate
CID 102205051
dipropyl 5-iodobenzene-1,3-dicarboxylate
CID 125479527
2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate
CID 112548868
2-(3-methylbutoxy)ethyl 3,5-dimethylbenzoate
CID 140608552
2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate
CID 103181345

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate (CID 11607886) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate is COCCOCCOCCOC(=O)c1cc(I)cc(C#Cc2cc(C(=O)OCCOCCOCCOC)cc(C#Cc3cc(C#Cc4cc(C#Cc5cc(C(=O)OCCOCCOCCOC)cc(C#Cc6cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(C(=O)OCCOCCOCCOC)c6)c5C)cc(C(=O)OCCOCCOCCOC)c4)cc(C(=O)OCCOCCOCCOC)c3)c2C)c1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate?
The InChIKey is MBHQQWWPPHRKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H133IO30Si/c1-79(2)139(80(3)4,81(5)6)62-25-90-65-88(70-97(72-90)104(111)135-58-52-129-46-40-123-34-28-117-11)19-23-93-76-99(106(113)137-60-54-131-48-42-125-36-30-119-13)74-91(82(93)7)21-17-86-63-84(66-95(68-86)102(109)133-56-50-127-44-38-121-32-26-115-9)15-16-85-64-87(69-96(67-85)103(110)134-57-51-128-45-39-122-33-27-116-10)18-22-92-75-100(107(114)138-61-55-132-49-43-126-37-31-120-14)77-94(83(92)8)24-20-89-71-98(78-101(108)73-89)105(112)136-59-53-130-47-41-124-35-29-118-12/h63-81H,26-61H2,1-14H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate has a molecular weight of 2054.20 g/mol, XLogP of 12.49, 63 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[3-[2-[3-[2-[3-iodo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-2-methylphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]-4-methylbenzoate is sourced from PubChem (CID 11607886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).