9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane

C56H60O16Si10 — CID 101468716

IUPAC9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane
SMILESCC(C)C[Si]1(O)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si]4(c5ccccc5)O[Si](O)(CC(C)C)O[Si]5(c6ccccc6)O[Si](c6ccccc6)(O[Si](c6ccccc6)(O1)O[Si](c1ccccc1)(O5)O[Si](c1ccccc1)(O2)O4)O3
InChIInChI=1S/C56H60O16Si10/c1-47(2)45-73(57)59-75(49-29-13-5-14-30-49)63-79(53-37-21-9-22-38-53)67-77(51-33-17-7-18-34-51)61-74(58,46-48(3)4)62-78(52-35-19-8-20-36-52)69-81(71-79,55-41-25-11-26-42-55)65-76(60-73,50-31-15-6-16-32-50)66-82(70-78,56-43-27-12-28-44-56)72-80(64-75,68-77)54-39-23-10-24-40-54/h5-44,47-48,57-58H,45-46H2,1-4H3
InChIKeyBKOMBZSJCPLKEN-UHFFFAOYSA-N
MW1269.94 g/mol
LogP4.23
Rot. Bonds12

About 9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane

9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane (PubChem CID 101468716) has the molecular formula C56H60O16Si10 and a molecular weight of 1269.94 g/mol. Its IUPAC name is 9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane.

Molecular Properties

Compound Name9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane
PubChem CID101468716
Molecular FormulaC56H60O16Si10
Molecular Weight1269.94 g/mol
Exact Mass1268.16
IUPAC Name9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane
SMILESCC(C)C[Si]1(O)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si]4(c5ccccc5)O[Si](O)(CC(C)C)O[Si]5(c6ccccc6)O[Si](c6ccccc6)(O[Si](c6ccccc6)(O1)O[Si](c1ccccc1)(O5)O[Si](c1ccccc1)(O2)O4)O3
InChIInChI=1S/C56H60O16Si10/c1-47(2)45-73(57)59-75(49-29-13-5-14-30-49)63-79(53-37-21-9-22-38-53)67-77(51-33-17-7-18-34-51)61-74(58,46-48(3)4)62-78(52-35-19-8-20-36-52)69-81(71-79,55-41-25-11-26-42-55)65-76(60-73,50-31-15-6-16-32-50)66-82(70-78,56-43-27-12-28-44-56)72-80(64-75,68-77)54-39-23-10-24-40-54/h5-44,47-48,57-58H,45-46H2,1-4H3
InChIKeyBKOMBZSJCPLKEN-UHFFFAOYSA-N
XLogP4.23
TPSA169.68 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001269.94
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane
CID 177446580
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
2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
CID 13425887
2-methylpropan-1-ol;phenol
CID 158335156
5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane
CID 102351920
2,2,4,4-tetraphenyl-1,3,2,4-dioxadisiletane
CID 15436049
3-[9-(3-acetyloxypropyl)-9,20-dimethyl-1,3,5,7,11,13,16,18-octakis-phenyl-2,4,6,8,10,12,15,17,19,21,22,23,24,25-tetradecaoxa-1,3,5,7,9,11,13,16,18,20-decasilahexacyclo[11.8.1.13,11.17,16.114,18.05,14]pentacosan-20-yl]propyl acetate
CID 88860007
2,6-dimethylheptan-4-one;3-methyl-1-phenylbutan-1-one
CID 174883238
(1S,3R,5R,7R,9R,11S,13S,15R,17S,19R,21S,23R)-7,9,19,21-tetraphenyl-1,3,5,7,9,11,13,15,17,19,21,23-dodeca(propan-2-yl)-2,4,6,8,10,12,14,16,18,20,22,24,25,26,27,28-hexadecaoxa-1,3,5,7,9,11,13,15,17,19,21,23-dodecasilapentacyclo[13.9.1.13,13.15,11.117,23]octacosane
CID 139119901
trimethyl-[[11,14,17-tris(dimethylsilyloxy)-1,3,5,7,9,11,14,17-octakis-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]silane
CID 123658212
bis(hydroxymethyl)-methyl-phenylphosphanium
CID 3061532
3-methylbutan-1-ol;phenol;ytterbium
CID 139987500

Frequently Asked Questions

What is the IUPAC name of 9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane?
The IUPAC name of 9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane (CID 101468716) is 9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane.
What is the SMILES notation for 9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane?
The canonical SMILES for 9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane is CC(C)C[Si]1(O)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si]4(c5ccccc5)O[Si](O)(CC(C)C)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 9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane?
The InChIKey is BKOMBZSJCPLKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H60O16Si10/c1-47(2)45-73(57)59-75(49-29-13-5-14-30-49)63-79(53-37-21-9-22-38-53)67-77(51-33-17-7-18-34-51)61-74(58,46-48(3)4)62-78(52-35-19-8-20-36-52)69-81(71-79,55-41-25-11-26-42-55)65-76(60-73,50-31-15-6-16-32-50)66-82(70-78,56-43-27-12-28-44-56)72-80(64-75,68-77)54-39-23-10-24-40-54/h5-44,47-48,57-58H,45-46H2,1-4H3.
What are the key properties of 9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane?
9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane has a molecular weight of 1269.94 g/mol, XLogP of 4.23, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9,19-dihydroxy-9,19-bis(2-methylpropyl)-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]tetracosane is sourced from PubChem (CID 101468716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).