methyl-[[11,14,17-tris(methylsilyloxy)-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

C52H60O14Si12 — CID 123303452

IUPACmethyl-[[11,14,17-tris(methylsilyloxy)-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
SMILESC[SiH2]O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O[SiH2]C)(c3ccccc3)O[Si](c3ccccc3)(O1)O[Si]1(c3ccccc3)O[Si](O[SiH2]C)(c3ccccc3)O[Si](c3ccccc3)(O[Si](O[SiH2]C)(c3ccccc3)O1)O2
InChIInChI=1S/C52H60O14Si12/c1-67-53-71(45-29-13-5-14-30-45)57-75(49-37-21-9-22-38-49)59-72(54-68-2,46-31-15-6-16-32-46)60-76(58-71,50-39-23-10-24-40-50)66-78(52-43-27-12-28-44-52)62-73(55-69-3,47-33-17-7-18-34-47)61-77(65-75,51-41-25-11-26-42-51)63-74(64-78,56-70-4)48-35-19-8-20-36-48/h5-44H,67-70H2,1-4H3
InChIKeyCJNLYMNSWDTRTK-UHFFFAOYSA-N
MW1246.07 g/mol
LogP1.56
Rot. Bonds16

About methyl-[[11,14,17-tris(methylsilyloxy)-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

methyl-[[11,14,17-tris(methylsilyloxy)-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 (PubChem CID 123303452) has the molecular formula C52H60O14Si12 and a molecular weight of 1246.07 g/mol. Its IUPAC name is methyl-[[11,14,17-tris(methylsilyloxy)-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.

Molecular Properties

Compound Namemethyl-[[11,14,17-tris(methylsilyloxy)-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
PubChem CID123303452
Molecular FormulaC52H60O14Si12
Molecular Weight1246.07 g/mol
Exact Mass1244.12
IUPAC Namemethyl-[[11,14,17-tris(methylsilyloxy)-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
SMILESC[SiH2]O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O[SiH2]C)(c3ccccc3)O[Si](c3ccccc3)(O1)O[Si]1(c3ccccc3)O[Si](O[SiH2]C)(c3ccccc3)O[Si](c3ccccc3)(O[Si](O[SiH2]C)(c3ccccc3)O1)O2
InChIInChI=1S/C52H60O14Si12/c1-67-53-71(45-29-13-5-14-30-45)57-75(49-37-21-9-22-38-49)59-72(54-68-2,46-31-15-6-16-32-46)60-76(58-71,50-39-23-10-24-40-50)66-78(52-43-27-12-28-44-52)62-73(55-69-3,47-33-17-7-18-34-47)61-77(65-75,51-41-25-11-26-42-51)63-74(64-78,56-70-4)48-35-19-8-20-36-48/h5-44H,67-70H2,1-4H3
InChIKeyCJNLYMNSWDTRTK-UHFFFAOYSA-N
XLogP1.56
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001246.07
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze methyl-[[11,14,17-tris(methylsilyloxy)-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 with MolForge

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Related Compounds

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
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
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
3-(3,5,7,9,11,13,15-heptakis-phenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)aniline
CID 140674964
(11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane
CID 90181785
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
CID 136734845
CID 136734845
2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 6487
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
(5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane
CID 123629525
2,2,4,4,6,6,8,8-octakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 139055820
5-[19-(1,3-dioxo-2-benzofuran-5-yl)-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]-2-benzofuran-1,3-dione
CID 58695259

Frequently Asked Questions

What is the IUPAC name of methyl-[[11,14,17-tris(methylsilyloxy)-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?
The IUPAC name of methyl-[[11,14,17-tris(methylsilyloxy)-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 123303452) is methyl-[[11,14,17-tris(methylsilyloxy)-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.
What is the SMILES notation for methyl-[[11,14,17-tris(methylsilyloxy)-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?
The canonical SMILES for methyl-[[11,14,17-tris(methylsilyloxy)-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 is C[SiH2]O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O[SiH2]C)(c3ccccc3)O[Si](c3ccccc3)(O1)O[Si]1(c3ccccc3)O[Si](O[SiH2]C)(c3ccccc3)O[Si](c3ccccc3)(O[Si](O[SiH2]C)(c3ccccc3)O1)O2.
What is the InChIKey of methyl-[[11,14,17-tris(methylsilyloxy)-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?
The InChIKey is CJNLYMNSWDTRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60O14Si12/c1-67-53-71(45-29-13-5-14-30-45)57-75(49-37-21-9-22-38-49)59-72(54-68-2,46-31-15-6-16-32-46)60-76(58-71,50-39-23-10-24-40-50)66-78(52-43-27-12-28-44-52)62-73(55-69-3,47-33-17-7-18-34-47)61-77(65-75,51-41-25-11-26-42-51)63-74(64-78,56-70-4)48-35-19-8-20-36-48/h5-44H,67-70H2,1-4H3.
What are the key properties of methyl-[[11,14,17-tris(methylsilyloxy)-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?
methyl-[[11,14,17-tris(methylsilyloxy)-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 has a molecular weight of 1246.07 g/mol, XLogP of 1.56, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[11,14,17-tris(methylsilyloxy)-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 is sourced from PubChem (CID 123303452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).