1,3,5,7,9,11,13,15-octaethyl-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

C16H42O11Si8 — CID 636111

IUPAC1,3,5,7,9,11,13,15-octaethyl-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
SMILESCC[SiH]1O[Si]2(CC)O[Si]3(CC)O[SiH](CC)O[Si]4(CC)O[Si](CC)(O1)O[Si](CC)(O2)O[Si](CC)(O3)O4
InChIInChI=1S/C16H42O11Si8/c1-9-28-17-30(11-3)21-32(13-5)19-29(10-2)20-33(14-6)22-31(12-4,18-28)24-34(15-7,23-30)27-35(16-8,25-32)26-33/h28-29H,9-16H2,1-8H3
InChIKeyGATSZJBSPCTHDQ-UHFFFAOYSA-N
MW635.19 g/mol
LogP3.46
Rot. Bonds8

About 1,3,5,7,9,11,13,15-octaethyl-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

1,3,5,7,9,11,13,15-octaethyl-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 (PubChem CID 636111) has the molecular formula C16H42O11Si8 and a molecular weight of 635.19 g/mol. Its IUPAC name is 1,3,5,7,9,11,13,15-octaethyl-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.

Molecular Properties

Compound Name1,3,5,7,9,11,13,15-octaethyl-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
PubChem CID636111
Molecular FormulaC16H42O11Si8
Molecular Weight635.19 g/mol
Exact Mass634.09
IUPAC Name1,3,5,7,9,11,13,15-octaethyl-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
SMILESCC[SiH]1O[Si]2(CC)O[Si]3(CC)O[SiH](CC)O[Si]4(CC)O[Si](CC)(O1)O[Si](CC)(O2)O[Si](CC)(O3)O4
InChIInChI=1S/C16H42O11Si8/c1-9-28-17-30(11-3)21-32(13-5)19-29(10-2)20-33(14-6)22-31(12-4,18-28)24-34(15-7,23-30)27-35(16-8,25-32)26-33/h28-29H,9-16H2,1-8H3
InChIKeyGATSZJBSPCTHDQ-UHFFFAOYSA-N
XLogP3.46
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.19
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,13,15-octaethyl-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 with MolForge

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Related Compounds

2-[2-(2,4,4,6,6,8,8-Heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 3290111
Bis(heptamethylcyclotetrasiloxanyl) ethane
CID 18967227
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
CID 635857
Methylheptaethyloctasilsesquioxane
CID 636112
Perethyloctasilsesquioxane
CID 636149
1,3,5,7,9,11,13,15-Octaethyl-7,13-dihydrotetracyclo[9.5.1.1(3,9).1(5,1)5]octasiloxane
CID 6330141
1,3,5,7,9,11,13,15-Octabutyl-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 15328177
Ethylenebis [hexamethyl-cyclotetrasiloxane]
CID 129806198
Tetra[methyl(trimethylsiloxy)]cyclotetrasiloxane
CID 129815633
Hexamethyldiethyloctasilsesquioxane
CID 635860
Pentamethyltriethyloctasilsesquioxane
CID 635928

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13,15-octaethyl-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?
The IUPAC name of 1,3,5,7,9,11,13,15-octaethyl-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 (CID 636111) is 1,3,5,7,9,11,13,15-octaethyl-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.
What is the SMILES notation for 1,3,5,7,9,11,13,15-octaethyl-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?
The canonical SMILES for 1,3,5,7,9,11,13,15-octaethyl-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 is CC[SiH]1O[Si]2(CC)O[Si]3(CC)O[SiH](CC)O[Si]4(CC)O[Si](CC)(O1)O[Si](CC)(O2)O[Si](CC)(O3)O4.
What is the InChIKey of 1,3,5,7,9,11,13,15-octaethyl-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?
The InChIKey is GATSZJBSPCTHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H42O11Si8/c1-9-28-17-30(11-3)21-32(13-5)19-29(10-2)20-33(14-6)22-31(12-4,18-28)24-34(15-7,23-30)27-35(16-8,25-32)26-33/h28-29H,9-16H2,1-8H3.
What are the key properties of 1,3,5,7,9,11,13,15-octaethyl-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?
1,3,5,7,9,11,13,15-octaethyl-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 has a molecular weight of 635.19 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11,13,15-octaethyl-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 is sourced from PubChem (CID 636111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).