[3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane

C23H70O20Si16 — CID 58623019

IUPAC[3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane
SMILESC[SiH](C)O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O1)O[Si]1(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O2)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O4)O1
InChIInChI=1S/C23H70O20Si16/c1-44(2)24-52-32-53(25-45(3,4)5)35-56(28-48(12,13)14)37-54(33-52,26-46(6,7)8)39-58(30-50(18,19)20)40-55(34-52,27-47(9,10)11)38-57(36-53,29-49(15,16)17)42-59(41-56,43-58)31-51(21,22)23/h44H,1-23H3
InChIKeyBSXSIZPQQXARCM-UHFFFAOYSA-N
MW1116.17 g/mol
LogP5.70
Rot. Bonds16

About [3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane

[3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane (PubChem CID 58623019) has the molecular formula C23H70O20Si16 and a molecular weight of 1116.17 g/mol. Its IUPAC name is [3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane.

Molecular Properties

Compound Name[3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane
PubChem CID58623019
Molecular FormulaC23H70O20Si16
Molecular Weight1116.17 g/mol
Exact Mass1114.08
IUPAC Name[3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane
SMILESC[SiH](C)O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O1)O[Si]1(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O2)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O4)O1
InChIInChI=1S/C23H70O20Si16/c1-44(2)24-52-32-53(25-45(3,4)5)35-56(28-48(12,13)14)37-54(33-52,26-46(6,7)8)39-58(30-50(18,19)20)40-55(34-52,27-47(9,10)11)38-57(36-53,29-49(15,16)17)42-59(41-56,43-58)31-51(21,22)23/h44H,1-23H3
InChIKeyBSXSIZPQQXARCM-UHFFFAOYSA-N
XLogP5.70
TPSA184.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001116.17
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze [3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane?
The IUPAC name of [3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane (CID 58623019) is [3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane.
What is the SMILES notation for [3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane?
The canonical SMILES for [3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane is C[SiH](C)O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O1)O[Si]1(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O2)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O4)O1.
What is the InChIKey of [3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane?
The InChIKey is BSXSIZPQQXARCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H70O20Si16/c1-44(2)24-52-32-53(25-45(3,4)5)35-56(28-48(12,13)14)37-54(33-52,26-46(6,7)8)39-58(30-50(18,19)20)40-55(34-52,27-47(9,10)11)38-57(36-53,29-49(15,16)17)42-59(41-56,43-58)31-51(21,22)23/h44H,1-23H3.
What are the key properties of [3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane?
[3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane has a molecular weight of 1116.17 g/mol, XLogP of 5.70, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [3-dimethylsilyloxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-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]oxy-trimethylsilane is sourced from PubChem (CID 58623019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).