1-ethyl-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

C9H26O12Si8 — CID 635857

IUPAC1-ethyl-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
SMILESCC[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/C9H26O12Si8/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/h9H2,1-8H3
InChIKeyJWCNLQLDCDIBDT-UHFFFAOYSA-N
MW550.98 g/mol
LogP1.19
Rot. Bonds1

About 1-ethyl-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-ethyl-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 635857) has the molecular formula C9H26O12Si8 and a molecular weight of 550.98 g/mol. Its IUPAC name is 1-ethyl-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-ethyl-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 CID635857
Molecular FormulaC9H26O12Si8
Molecular Weight550.98 g/mol
Exact Mass549.96
IUPAC Name1-ethyl-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
SMILESCC[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/C9H26O12Si8/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/h9H2,1-8H3
InChIKeyJWCNLQLDCDIBDT-UHFFFAOYSA-N
XLogP1.19
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.98
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-ethyl-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

Pentacyclo(9.5.1.13,9.15,15.17,13)octasiloxane, 1,3,5,7,9,11,13,15-octamethyl-
CID 519486
Tetraethylcyclotetrasiloxane
CID 6329830
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
Heptamethylvinyloctasilsesquioxane
CID 635844
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
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
Perethylhexasilsesquioxane
CID 635195

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-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-ethyl-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 635857) is 1-ethyl-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-ethyl-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-ethyl-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 CC[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-ethyl-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 JWCNLQLDCDIBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H26O12Si8/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/h9H2,1-8H3.
What are the key properties of 1-ethyl-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-ethyl-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 550.98 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-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 635857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).