tris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane

C64H104O8Si16 — CID 134886409

IUPACtris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane
SMILESC=C[Si](C=C)(C=C)CC[Si]12O[Si]3(CC[Si](C=C)(C=C)C=C)O[Si]4(CC[Si](C=C)(C=C)C=C)O[Si](CC[Si](C=C)(C=C)C=C)(O1)[Si]1(CC[Si](C=C)(C=C)C=C)O[Si]2(CC[Si](C=C)(C=C)C=C)O[Si]3(CC[Si](C=C)(C=C)C=C)O[Si]4(CC[Si](C=C)(C=C)C=C)O1
InChIInChI=1S/C64H104O8Si16/c1-25-73(26-2,27-3)49-57-81-65-83(59-51-75(31-7,32-8)33-9)69-87(63-55-79(43-19,44-20)45-21)70-84(66-81,60-52-76(34-10,35-11)36-12)86(62-54-78(40-16,41-17)42-18)68-82(81,58-50-74(28-4,29-5)30-6)67-85(83,61-53-77(37-13,38-14)39-15)71-88(87,72-86)64-56-80(46-22,47-23)48-24/h25-48H,1-24,49-64H2
InChIKeyKQMRDMZSUAFWBV-UHFFFAOYSA-N
MW1450.90 g/mol
LogP17.03
Rot. Bonds48

About tris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane

tris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane (PubChem CID 134886409) has the molecular formula C64H104O8Si16 and a molecular weight of 1450.90 g/mol. Its IUPAC name is tris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane.

Molecular Properties

Compound Nametris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane
PubChem CID134886409
Molecular FormulaC64H104O8Si16
Molecular Weight1450.90 g/mol
Exact Mass1448.40
IUPAC Nametris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane
SMILESC=C[Si](C=C)(C=C)CC[Si]12O[Si]3(CC[Si](C=C)(C=C)C=C)O[Si]4(CC[Si](C=C)(C=C)C=C)O[Si](CC[Si](C=C)(C=C)C=C)(O1)[Si]1(CC[Si](C=C)(C=C)C=C)O[Si]2(CC[Si](C=C)(C=C)C=C)O[Si]3(CC[Si](C=C)(C=C)C=C)O[Si]4(CC[Si](C=C)(C=C)C=C)O1
InChIInChI=1S/C64H104O8Si16/c1-25-73(26-2,27-3)49-57-81-65-83(59-51-75(31-7,32-8)33-9)69-87(63-55-79(43-19,44-20)45-21)70-84(66-81,60-52-76(34-10,35-11)36-12)86(62-54-78(40-16,41-17)42-18)68-82(81,58-50-74(28-4,29-5)30-6)67-85(83,61-53-77(37-13,38-14)39-15)71-88(87,72-86)64-56-80(46-22,47-23)48-24/h25-48H,1-24,49-64H2
InChIKeyKQMRDMZSUAFWBV-UHFFFAOYSA-N
XLogP17.03
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds48
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001450.90
LogP ≤ 517.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane?
The IUPAC name of tris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane (CID 134886409) is tris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane.
What is the SMILES notation for tris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane?
The canonical SMILES for tris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane is C=C[Si](C=C)(C=C)CC[Si]12O[Si]3(CC[Si](C=C)(C=C)C=C)O[Si]4(CC[Si](C=C)(C=C)C=C)O[Si](CC[Si](C=C)(C=C)C=C)(O1)[Si]1(CC[Si](C=C)(C=C)C=C)O[Si]2(CC[Si](C=C)(C=C)C=C)O[Si]3(CC[Si](C=C)(C=C)C=C)O[Si]4(CC[Si](C=C)(C=C)C=C)O1.
What is the InChIKey of tris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane?
The InChIKey is KQMRDMZSUAFWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H104O8Si16/c1-25-73(26-2,27-3)49-57-81-65-83(59-51-75(31-7,32-8)33-9)69-87(63-55-79(43-19,44-20)45-21)70-84(66-81,60-52-76(34-10,35-11)36-12)86(62-54-78(40-16,41-17)42-18)68-82(81,58-50-74(28-4,29-5)30-6)67-85(83,61-53-77(37-13,38-14)39-15)71-88(87,72-86)64-56-80(46-22,47-23)48-24/h25-48H,1-24,49-64H2.
What are the key properties of tris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane?
tris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane has a molecular weight of 1450.90 g/mol, XLogP of 17.03, 48 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethenyl)-[2-[2,4,6,8,9,11,13-heptakis[2-tris(ethenyl)silylethyl]-3,5,7,10,12,14,15,16-octaoxa-1,2,4,6,8,9,11,13-octasilapentacyclo[7.5.1.12,8.04,13.06,11]hexadecan-1-yl]ethyl]silane is sourced from PubChem (CID 134886409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).