2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane

C66H132O11Si11 — CID 89486287

IUPAC2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
SMILESC=C[Si]1(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O1
InChIInChI=1S/C66H132O11Si11/c1-45-78(56(12,13)14)67-79(46-2,57(15,16)17)69-81(48-4,59(21,22)23)71-83(50-6,61(27,28)29)73-85(52-8,63(33,34)35)75-87(54-10,65(39,40)41)77-88(55-11,66(42,43)44)76-86(53-9,64(36,37)38)74-84(51-7,62(30,31)32)72-82(49-5,60(24,25)26)70-80(47-3,68-78)58(18,19)20/h45-55H,1-11H2,12-44H3
InChIKeyVMYORSOZAZSVOD-UHFFFAOYSA-N
MW1410.72 g/mol
LogP21.83
Rot. Bonds11

About 2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane

2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane (PubChem CID 89486287) has the molecular formula C66H132O11Si11 and a molecular weight of 1410.72 g/mol. Its IUPAC name is 2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane.

Molecular Properties

Compound Name2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
PubChem CID89486287
Molecular FormulaC66H132O11Si11
Molecular Weight1410.72 g/mol
Exact Mass1408.72
IUPAC Name2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
SMILESC=C[Si]1(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O1
InChIInChI=1S/C66H132O11Si11/c1-45-78(56(12,13)14)67-79(46-2,57(15,16)17)69-81(48-4,59(21,22)23)71-83(50-6,61(27,28)29)73-85(52-8,63(33,34)35)75-87(54-10,65(39,40)41)77-88(55-11,66(42,43)44)76-86(53-9,64(36,37)38)74-84(51-7,62(30,31)32)72-82(49-5,60(24,25)26)70-80(47-3,68-78)58(18,19)20/h45-55H,1-11H2,12-44H3
InChIKeyVMYORSOZAZSVOD-UHFFFAOYSA-N
XLogP21.83
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001410.72
LogP ≤ 521.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane?
The IUPAC name of 2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane (CID 89486287) is 2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane.
What is the SMILES notation for 2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane?
The canonical SMILES for 2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane is C=C[Si]1(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O[Si](C=C)(C(C)(C)C)O1.
What is the InChIKey of 2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane?
The InChIKey is VMYORSOZAZSVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H132O11Si11/c1-45-78(56(12,13)14)67-79(46-2,57(15,16)17)69-81(48-4,59(21,22)23)71-83(50-6,61(27,28)29)73-85(52-8,63(33,34)35)75-87(54-10,65(39,40)41)77-88(55-11,66(42,43)44)76-86(53-9,64(36,37)38)74-84(51-7,62(30,31)32)72-82(49-5,60(24,25)26)70-80(47-3,68-78)58(18,19)20/h45-55H,1-11H2,12-44H3.
What are the key properties of 2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane?
2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane has a molecular weight of 1410.72 g/mol, XLogP of 21.83, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane is sourced from PubChem (CID 89486287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).