ethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane

C39H72O13Si9 — CID 3365167

IUPACethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane
SMILESC=C[Si](C)(C)O[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1
InChIInChI=1S/C39H72O13Si9/c1-4-53(2,3)40-61-50-58(37-27-13-14-28-37)44-55(34-21-7-8-22-34)41-54(33-19-5-6-20-33)42-56(46-58,35-23-9-10-24-35)48-60(52-61,39-31-17-18-32-39)49-57(43-54,36-25-11-12-26-36)47-59(45-55,51-61)38-29-15-16-30-38/h4,33-39H,1,5-32H2,2-3H3
InChIKeyZEIBVTZQEVTIBC-UHFFFAOYSA-N
MW1001.77 g/mol
LogP10.82
Rot. Bonds10

About ethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane

ethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane (PubChem CID 3365167) has the molecular formula C39H72O13Si9 and a molecular weight of 1001.77 g/mol. Its IUPAC name is ethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane.

Molecular Properties

Compound Nameethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane
PubChem CID3365167
Molecular FormulaC39H72O13Si9
Molecular Weight1001.77 g/mol
Exact Mass1000.29
IUPAC Nameethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane
SMILESC=C[Si](C)(C)O[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1
InChIInChI=1S/C39H72O13Si9/c1-4-53(2,3)40-61-50-58(37-27-13-14-28-37)44-55(34-21-7-8-22-34)41-54(33-19-5-6-20-33)42-56(46-58,35-23-9-10-24-35)48-60(52-61,39-31-17-18-32-39)49-57(43-54,36-25-11-12-26-36)47-59(45-55,51-61)38-29-15-16-30-38/h4,33-39H,1,5-32H2,2-3H3
InChIKeyZEIBVTZQEVTIBC-UHFFFAOYSA-N
XLogP10.82
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001001.77
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze ethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane?
The IUPAC name of ethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane (CID 3365167) is ethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane.
What is the SMILES notation for ethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane?
The canonical SMILES for ethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane is C=C[Si](C)(C)O[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1.
What is the InChIKey of ethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane?
The InChIKey is ZEIBVTZQEVTIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H72O13Si9/c1-4-53(2,3)40-61-50-58(37-27-13-14-28-37)44-55(34-21-7-8-22-34)41-54(33-19-5-6-20-33)42-56(46-58,35-23-9-10-24-35)48-60(52-61,39-31-17-18-32-39)49-57(43-54,36-25-11-12-26-36)47-59(45-55,51-61)38-29-15-16-30-38/h4,33-39H,1,5-32H2,2-3H3.
What are the key properties of ethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane?
ethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane has a molecular weight of 1001.77 g/mol, XLogP of 10.82, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[(3,5,7,9,11,13,15-heptacyclopentyl-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]-dimethylsilane is sourced from PubChem (CID 3365167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).