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

C16H40O12Si8 — CID 636149

IUPAC1,3,5,7,9,11,13,15-octaethyl-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
SMILESCC[Si]12O[Si]3(CC)O[Si]4(CC)O[Si](CC)(O1)O[Si]1(CC)O[Si](CC)(O2)O[Si](CC)(O3)O[Si](CC)(O4)O1
InChIInChI=1S/C16H40O12Si8/c1-9-29-17-30(10-2)20-33(13-5)22-31(11-3,18-29)24-35(15-7)25-32(12-4,19-29)23-34(14-6,21-30)27-36(16-8,26-33)28-35/h9-16H2,1-8H3
InChIKeyFVXWHKPUECJAPE-UHFFFAOYSA-N
MW649.17 g/mol
LogP3.92
Rot. Bonds8

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

1,3,5,7,9,11,13,15-octaethyl-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 636149) has the molecular formula C16H40O12Si8 and a molecular weight of 649.17 g/mol. Its IUPAC name is 1,3,5,7,9,11,13,15-octaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane.

Molecular Properties

Compound Name1,3,5,7,9,11,13,15-octaethyl-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 CID636149
Molecular FormulaC16H40O12Si8
Molecular Weight649.17 g/mol
Exact Mass648.07
IUPAC Name1,3,5,7,9,11,13,15-octaethyl-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
SMILESCC[Si]12O[Si]3(CC)O[Si]4(CC)O[Si](CC)(O1)O[Si]1(CC)O[Si](CC)(O2)O[Si](CC)(O3)O[Si](CC)(O4)O1
InChIInChI=1S/C16H40O12Si8/c1-9-29-17-30(10-2)20-33(13-5)22-31(11-3,18-29)24-35(15-7)25-32(12-4,19-29)23-34(14-6,21-30)27-36(16-8,26-33)28-35/h9-16H2,1-8H3
InChIKeyFVXWHKPUECJAPE-UHFFFAOYSA-N
XLogP3.92
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.17
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,13,15-octaethyl-2,4,6,8,10,12,14,16,17,18,19,20-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

2,2,4,4,6,6,8,8-Octaethylcyclotetrasiloxane
CID 121111
Tricyclo(7.3.3.15,11)heptasiloxane-3,7,14-triol, 1,3,5,7,9,11,14-heptakis(2-methylpropyl)-
CID 4381659
Pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane, 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-
CID 4524693
Bis(heptamethylcyclotetrasiloxy)hexamethyltrisiloxane
CID 553150
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
Octakis(tert-butyl)octasilsesquioxane
CID 139111891
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
Heptamethylethyloctasilsesquioxane
CID 635857
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
Methylheptaethyloctasilsesquioxane
CID 636112
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

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13,15-octaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
The IUPAC name of 1,3,5,7,9,11,13,15-octaethyl-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 636149) is 1,3,5,7,9,11,13,15-octaethyl-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 1,3,5,7,9,11,13,15-octaethyl-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 1,3,5,7,9,11,13,15-octaethyl-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 CC[Si]12O[Si]3(CC)O[Si]4(CC)O[Si](CC)(O1)O[Si]1(CC)O[Si](CC)(O2)O[Si](CC)(O3)O[Si](CC)(O4)O1.
What is the InChIKey of 1,3,5,7,9,11,13,15-octaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
The InChIKey is FVXWHKPUECJAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40O12Si8/c1-9-29-17-30(10-2)20-33(13-5)22-31(11-3,18-29)24-35(15-7)25-32(12-4,19-29)23-34(14-6,21-30)27-36(16-8,26-33)28-35/h9-16H2,1-8H3.
What are the key properties of 1,3,5,7,9,11,13,15-octaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
1,3,5,7,9,11,13,15-octaethyl-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 649.17 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11,13,15-octaethyl-2,4,6,8,10,12,14,16,17,18,19,20-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 636149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).