1-ethenyl-3,5,7,9,11,13,15-heptamethyl-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

C9H24O12Si8 — CID 635844

IUPAC1-ethenyl-3,5,7,9,11,13,15-heptamethyl-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(C)O[Si]4(C)O[Si]5(C)O[Si](C)(O3)O[Si](C)(O[Si](C)(O5)O[Si](C)(O4)O1)O2
InChIInChI=1S/C9H24O12Si8/c1-9-29-19-26(6)13-23(3)10-22(2)11-24(4,15-26)17-28(8,21-29)18-25(5,12-22)16-27(7,14-23)20-29/h9H,1H2,2-8H3
InChIKeyVRYONAXLVYBZKH-UHFFFAOYSA-N
MW548.97 g/mol
LogP0.90
Rot. Bonds1

About 1-ethenyl-3,5,7,9,11,13,15-heptamethyl-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-heptamethyl-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 635844) has the molecular formula C9H24O12Si8 and a molecular weight of 548.97 g/mol. Its IUPAC name is 1-ethenyl-3,5,7,9,11,13,15-heptamethyl-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-heptamethyl-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 CID635844
Molecular FormulaC9H24O12Si8
Molecular Weight548.97 g/mol
Exact Mass547.94
IUPAC Name1-ethenyl-3,5,7,9,11,13,15-heptamethyl-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(C)O[Si]4(C)O[Si]5(C)O[Si](C)(O3)O[Si](C)(O[Si](C)(O5)O[Si](C)(O4)O1)O2
InChIInChI=1S/C9H24O12Si8/c1-9-29-19-26(6)13-23(3)10-22(2)11-24(4,15-26)17-28(8,21-29)18-25(5,12-22)16-27(7,14-23)20-29/h9H,1H2,2-8H3
InChIKeyVRYONAXLVYBZKH-UHFFFAOYSA-N
XLogP0.90
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.97
LogP ≤ 50.90
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-heptamethyl-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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2,2,4,4-Tetrakis(ethenyl)-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
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2,4-Bis(ethenyl)-2,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 3112964
2,4,6,8-Tetrahydroxy-2,4,6,8-tetravinyl-cyclotetrasiloxane
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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
Heptamethylethyloctasilsesquioxane
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CID 636112
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
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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,5,7,9,11,13,15-heptamethyl-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-heptamethyl-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 635844) is 1-ethenyl-3,5,7,9,11,13,15-heptamethyl-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-heptamethyl-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-heptamethyl-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(C)O[Si]4(C)O[Si]5(C)O[Si](C)(O3)O[Si](C)(O[Si](C)(O5)O[Si](C)(O4)O1)O2.
What is the InChIKey of 1-ethenyl-3,5,7,9,11,13,15-heptamethyl-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 VRYONAXLVYBZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24O12Si8/c1-9-29-19-26(6)13-23(3)10-22(2)11-24(4,15-26)17-28(8,21-29)18-25(5,12-22)16-27(7,14-23)20-29/h9H,1H2,2-8H3.
What are the key properties of 1-ethenyl-3,5,7,9,11,13,15-heptamethyl-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-heptamethyl-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 548.97 g/mol, XLogP of 0.90, 1 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-heptamethyl-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 635844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).