1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane

C30H66O12Si8 — CID 5159031

IUPAC1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane
SMILESC=C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1
InChIInChI=1S/C30H66O12Si8/c1-16-43-31-44(17-24(2)3)34-47(20-27(8)9)36-45(32-43,18-25(4)5)38-49(22-29(12)13)39-46(33-43,19-26(6)7)37-48(35-44,21-28(10)11)41-50(40-47,42-49)23-30(14)15/h16,24-30H,1,17-23H2,2-15H3
InChIKeyYJYPHYFVIQJBFN-UHFFFAOYSA-N
MW843.53 g/mol
LogP8.08
Rot. Bonds15

About 1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane

1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane (PubChem CID 5159031) has the molecular formula C30H66O12Si8 and a molecular weight of 843.53 g/mol. Its IUPAC name is 1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane.

Molecular Properties

Compound Name1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane
PubChem CID5159031
Molecular FormulaC30H66O12Si8
Molecular Weight843.53 g/mol
Exact Mass842.27
IUPAC Name1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane
SMILESC=C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1
InChIInChI=1S/C30H66O12Si8/c1-16-43-31-44(17-24(2)3)34-47(20-27(8)9)36-45(32-43,18-25(4)5)38-49(22-29(12)13)39-46(33-43,19-26(6)7)37-48(35-44,21-28(10)11)41-50(40-47,42-49)23-30(14)15/h16,24-30H,1,17-23H2,2-15H3
InChIKeyYJYPHYFVIQJBFN-UHFFFAOYSA-N
XLogP8.08
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.53
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane with MolForge

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Related Compounds

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Pentaethyltrivinyloctasilsesquioxane
CID 636129
Hexaethyldivinyloctasilsesquioxane
CID 636142
Heptaethylvinyloctasilsesquioxane
CID 636148
2,2,4,4,6,6,8,8-Octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,4,6,8-tetrakis(ethenyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 157756995
2,4,6,8-Tetrakis(ethenyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 158694653
1,3,5,7,9,11,13,15-Octaisobutyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane-7,13-diol
CID 5071479
Bis(ethenyl)-[2-[3,5,7,9,11,13,15-heptakis[2-[bis(ethenyl)-methylsilyl]ethyl]-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]ethyl]-methylsilane
CID 12103962

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane?
The IUPAC name of 1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane (CID 5159031) is 1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane.
What is the SMILES notation for 1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane?
The canonical SMILES for 1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane is C=C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1.
What is the InChIKey of 1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane?
The InChIKey is YJYPHYFVIQJBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H66O12Si8/c1-16-43-31-44(17-24(2)3)34-47(20-27(8)9)36-45(32-43,18-25(4)5)38-49(22-29(12)13)39-46(33-43,19-26(6)7)37-48(35-44,21-28(10)11)41-50(40-47,42-49)23-30(14)15/h16,24-30H,1,17-23H2,2-15H3.
What are the key properties of 1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane?
1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane has a molecular weight of 843.53 g/mol, XLogP of 8.08, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-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]icosane is sourced from PubChem (CID 5159031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).