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

C60H68O18Si10 — CID 58687400

IUPAC2-[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
SMILESC[Si]1(CCCOCCO)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si]4(c5ccccc5)O[Si](C)(CCCOCCO)O[Si]5(c6ccccc6)O[Si](c6ccccc6)(O[Si](c6ccccc6)(O1)O[Si](c1ccccc1)(O5)O[Si](c1ccccc1)(O2)O4)O3
InChIInChI=1S/C60H68O18Si10/c1-79(51-27-47-63-49-45-61)65-81(53-29-11-3-12-30-53)69-85(57-37-19-7-20-38-57)73-83(55-33-15-5-16-34-55)67-80(2,52-28-48-64-50-46-62)68-84(56-35-17-6-18-36-56)75-87(77-85,59-41-23-9-24-42-59)71-82(66-79,54-31-13-4-14-32-54)72-88(76-84,60-43-25-10-26-44-60)78-86(70-81,74-83)58-39-21-8-22-40-58/h3-26,29-44,61-62H,27-28,45-52H2,1-2H3
InChIKeyUCYTWWUENSAQOQ-UHFFFAOYSA-N
MW1358.05 g/mol
LogP4.00
Rot. Bonds20

About 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

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 (PubChem CID 58687400) has the molecular formula C60H68O18Si10 and a molecular weight of 1358.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID58687400
Molecular FormulaC60H68O18Si10
Molecular Weight1358.05 g/mol
Exact Mass1356.21
IUPAC Name2-[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
SMILESC[Si]1(CCCOCCO)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si]4(c5ccccc5)O[Si](C)(CCCOCCO)O[Si]5(c6ccccc6)O[Si](c6ccccc6)(O[Si](c6ccccc6)(O1)O[Si](c1ccccc1)(O5)O[Si](c1ccccc1)(O2)O4)O3
InChIInChI=1S/C60H68O18Si10/c1-79(51-27-47-63-49-45-61)65-81(53-29-11-3-12-30-53)69-85(57-37-19-7-20-38-57)73-83(55-33-15-5-16-34-55)67-80(2,52-28-48-64-50-46-62)68-84(56-35-17-6-18-36-56)75-87(77-85,59-41-23-9-24-42-59)71-82(66-79,54-31-13-4-14-32-54)72-88(76-84,60-43-25-10-26-44-60)78-86(70-81,74-83)58-39-21-8-22-40-58/h3-26,29-44,61-62H,27-28,45-52H2,1-2H3
InChIKeyUCYTWWUENSAQOQ-UHFFFAOYSA-N
XLogP4.00
TPSA188.14 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001358.05
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(CCCOCCO)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si]4(c5ccccc5)O[Si](C)(CCCOCCO)O[Si]5(c6ccccc6)O[Si](c6ccccc6)(O[Si](c6ccccc6)(O1)O[Si](c1ccccc1)(O5)O[Si](c1ccccc1)(O2)O4)O3.
What is the InChIKey of 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?
The InChIKey is UCYTWWUENSAQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H68O18Si10/c1-79(51-27-47-63-49-45-61)65-81(53-29-11-3-12-30-53)69-85(57-37-19-7-20-38-57)73-83(55-33-15-5-16-34-55)67-80(2,52-28-48-64-50-46-62)68-84(56-35-17-6-18-36-56)75-87(77-85,59-41-23-9-24-42-59)71-82(66-79,54-31-13-4-14-32-54)72-88(76-84,60-43-25-10-26-44-60)78-86(70-81,74-83)58-39-21-8-22-40-58/h3-26,29-44,61-62H,27-28,45-52H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1358.05 g/mol, XLogP of 4.00, 20 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58687400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).