2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol)

C76H110O22Si11 — CID 123470252

IUPAC2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol)
SMILESCCCCOCCO.CCCCOCCO.C[SiH2]O[Si]1(c2ccccc2)O[Si]2(Cc3ccccc3)O[Si](OCCCCOCCO)(c3ccccc3)O[Si](c3ccccc3)(O1)O[Si]1(c3ccccc3)O[Si](O[SiH2]C)(c3ccccc3)O[Si](c3ccccc3)(O2)O[Si](O[Si](C)(C)CCCOCCO)(c2ccccc2)O1
InChIInChI=1S/C64H82O18Si11.2C6H14O2/c1-83-70-88(59-36-17-7-18-37-59)74-86(56-57-32-13-5-14-33-57)73-87(58-34-15-6-16-35-58,69-52-30-29-50-67-53-48-65)76-92(77-88,63-44-25-11-26-45-63)82-93(64-46-27-12-28-47-64)79-89(71-84-2,60-38-19-8-20-39-60)78-91(75-86,62-42-23-10-24-43-62)80-90(81-93,61-40-21-9-22-41-61)72-85(3,4)55-31-51-68-54-49-66;2*1-2-3-5-8-6-4-7/h5-28,32-47,65-66H,29-31,48-56,83-84H2,1-4H3;2*7H,2-6H2,1H3
InChIKeyIFEZOIWVEZLJAL-UHFFFAOYSA-N
MW1684.64 g/mol
LogP6.15
Rot. Bonds39

About 2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol)

2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol) (PubChem CID 123470252) has the molecular formula C76H110O22Si11 and a molecular weight of 1684.64 g/mol. Its IUPAC name is 2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol).

Molecular Properties

Compound Name2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol)
PubChem CID123470252
Molecular FormulaC76H110O22Si11
Molecular Weight1684.64 g/mol
Exact Mass1682.50
IUPAC Name2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol)
SMILESCCCCOCCO.CCCCOCCO.C[SiH2]O[Si]1(c2ccccc2)O[Si]2(Cc3ccccc3)O[Si](OCCCCOCCO)(c3ccccc3)O[Si](c3ccccc3)(O1)O[Si]1(c3ccccc3)O[Si](O[SiH2]C)(c3ccccc3)O[Si](c3ccccc3)(O2)O[Si](O[Si](C)(C)CCCOCCO)(c2ccccc2)O1
InChIInChI=1S/C64H82O18Si11.2C6H14O2/c1-83-70-88(59-36-17-7-18-37-59)74-86(56-57-32-13-5-14-33-57)73-87(58-34-15-6-16-35-58,69-52-30-29-50-67-53-48-65)76-92(77-88,63-44-25-11-26-45-63)82-93(64-46-27-12-28-47-64)79-89(71-84-2,60-38-19-8-20-39-60)78-91(75-86,62-42-23-10-24-43-62)80-90(81-93,61-40-21-9-22-41-61)72-85(3,4)55-31-51-68-54-49-66;2*1-2-3-5-8-6-4-7/h5-28,32-47,65-66H,29-31,48-56,83-84H2,1-4H3;2*7H,2-6H2,1H3
InChIKeyIFEZOIWVEZLJAL-UHFFFAOYSA-N
XLogP6.15
TPSA247.06 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds39
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001684.64
LogP ≤ 56.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol) with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[19-[3-(2-hydroxyethoxy)propyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]propoxy]ethanol
CID 58687400
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4-heptoxybutylbenzene;methane;octane;4-phenylbutan-1-ol
CID 157096254
2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane
CID 174848492
2-butoxyethanol
CID 8133
5-pentoxypentylbenzene
CID 19046566
2-butoxyethanol;pyridine
CID 68817670
3-decoxypropylbenzene
CID 150065328
4-octadecoxybutylbenzene
CID 70977182
1-bromotridecane;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-dodecoxyethoxymethylbenzene;ethane;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 159782559

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol)?
The IUPAC name of 2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol) (CID 123470252) is 2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol).
What is the SMILES notation for 2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol)?
The canonical SMILES for 2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol) is CCCCOCCO.CCCCOCCO.C[SiH2]O[Si]1(c2ccccc2)O[Si]2(Cc3ccccc3)O[Si](OCCCCOCCO)(c3ccccc3)O[Si](c3ccccc3)(O1)O[Si]1(c3ccccc3)O[Si](O[SiH2]C)(c3ccccc3)O[Si](c3ccccc3)(O2)O[Si](O[Si](C)(C)CCCOCCO)(c2ccccc2)O1.
What is the InChIKey of 2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol)?
The InChIKey is IFEZOIWVEZLJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H82O18Si11.2C6H14O2/c1-83-70-88(59-36-17-7-18-37-59)74-86(56-57-32-13-5-14-33-57)73-87(58-34-15-6-16-35-58,69-52-30-29-50-67-53-48-65)76-92(77-88,63-44-25-11-26-45-63)82-93(64-46-27-12-28-47-64)79-89(71-84-2,60-38-19-8-20-39-60)78-91(75-86,62-42-23-10-24-43-62)80-90(81-93,61-40-21-9-22-41-61)72-85(3,4)55-31-51-68-54-49-66;2*1-2-3-5-8-6-4-7/h5-28,32-47,65-66H,29-31,48-56,83-84H2,1-4H3;2*7H,2-6H2,1H3.
What are the key properties of 2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol)?
2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol) has a molecular weight of 1684.64 g/mol, XLogP of 6.15, 39 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-benzyl-11-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-14,17-bis(methylsilyloxy)-1,5,7,9,11,14,17-heptakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]butoxy]ethanol;bis(2-butoxyethanol) is sourced from PubChem (CID 123470252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).