[20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane

C70H94O14Si12 — CID 90181779

IUPAC[20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane
SMILESCCCC(C)(C)[Si](C)(C)O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si](O[Si](C)(C)C)(c4ccccc4)O[Si]4(c5ccccc5)O[Si](c5ccccc5)(O1)O[Si](c1ccccc1)(O2)O[Si](C)(C)C(C)(C)C(C)(CC)[Si](C)(C)O[Si](c1ccccc1)(O3)O4
InChIInChI=1S/C70H94O14Si12/c1-17-59-68(3,4)86(11,12)72-90(61-45-29-20-30-46-61)77-95(66-55-39-25-40-56-66)79-91(62-47-31-21-32-48-62)73-87(13,14)69(5,6)70(7,18-2)88(15,16)74-92(63-49-33-22-34-50-63)81-93(83-95,64-51-35-23-36-52-64)75-89(71-85(8,9)10,60-43-27-19-28-44-60)76-94(82-92,65-53-37-24-38-54-65)84-96(78-90,80-91)67-57-41-26-42-58-67/h19-58H,17-18,59H2,1-16H3
InChIKeyKLYJNBNSKZDOAF-UHFFFAOYSA-N
MW1496.54 g/mol
LogP12.02
Rot. Bonds16

About [20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane

[20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane (PubChem CID 90181779) has the molecular formula C70H94O14Si12 and a molecular weight of 1496.54 g/mol. Its IUPAC name is [20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane
PubChem CID90181779
Molecular FormulaC70H94O14Si12
Molecular Weight1496.54 g/mol
Exact Mass1494.39
IUPAC Name[20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane
SMILESCCCC(C)(C)[Si](C)(C)O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si](O[Si](C)(C)C)(c4ccccc4)O[Si]4(c5ccccc5)O[Si](c5ccccc5)(O1)O[Si](c1ccccc1)(O2)O[Si](C)(C)C(C)(C)C(C)(CC)[Si](C)(C)O[Si](c1ccccc1)(O3)O4
InChIInChI=1S/C70H94O14Si12/c1-17-59-68(3,4)86(11,12)72-90(61-45-29-20-30-46-61)77-95(66-55-39-25-40-56-66)79-91(62-47-31-21-32-48-62)73-87(13,14)69(5,6)70(7,18-2)88(15,16)74-92(63-49-33-22-34-50-63)81-93(83-95,64-51-35-23-36-52-64)75-89(71-85(8,9)10,60-43-27-19-28-44-60)76-94(82-92,65-53-37-24-38-54-65)84-96(78-90,80-91)67-57-41-26-42-58-67/h19-58H,17-18,59H2,1-16H3
InChIKeyKLYJNBNSKZDOAF-UHFFFAOYSA-N
XLogP12.02
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001496.54
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze [20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane?
The IUPAC name of [20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane (CID 90181779) is [20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane.
What is the SMILES notation for [20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane?
The canonical SMILES for [20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane is CCCC(C)(C)[Si](C)(C)O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si](O[Si](C)(C)C)(c4ccccc4)O[Si]4(c5ccccc5)O[Si](c5ccccc5)(O1)O[Si](c1ccccc1)(O2)O[Si](C)(C)C(C)(C)C(C)(CC)[Si](C)(C)O[Si](c1ccccc1)(O3)O4.
What is the InChIKey of [20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane?
The InChIKey is KLYJNBNSKZDOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H94O14Si12/c1-17-59-68(3,4)86(11,12)72-90(61-45-29-20-30-46-61)77-95(66-55-39-25-40-56-66)79-91(62-47-31-21-32-48-62)73-87(13,14)69(5,6)70(7,18-2)88(15,16)74-92(63-49-33-22-34-50-63)81-93(83-95,64-51-35-23-36-52-64)75-89(71-85(8,9)10,60-43-27-19-28-44-60)76-94(82-92,65-53-37-24-38-54-65)84-96(78-90,80-91)67-57-41-26-42-58-67/h19-58H,17-18,59H2,1-16H3.
What are the key properties of [20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane?
[20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane has a molecular weight of 1496.54 g/mol, XLogP of 12.02, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [20-[dimethyl(2-methylpentan-2-yl)silyl]oxy-7-ethyl-5,5,6,6,7,8,8-heptamethyl-1,3,10,12,14,16,18,20-octakis-phenyl-2,4,9,11,13,15,17,19,21,22,23,24-dodecaoxa-1,3,5,8,10,12,14,16,18,20-decasilatetracyclo[10.9.1.13,18.110,16]tetracosan-14-yl]oxy-trimethylsilane is sourced from PubChem (CID 90181779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).