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

C17H44O12Si8 — CID 58898346

IUPAC1,3,5,7,9,11,13,15-octaethyl-7-hydroxy-13-methyl-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[Si]1(C)O[Si]2(CC)O[Si]3(CC)O[Si](O)(CC)O[Si]4(CC)O[Si](CC)(O1)O[Si](CC)(O2)O[Si](CC)(O3)O4
InChIInChI=1S/C17H44O12Si8/c1-10-30(9)19-32(12-3)23-34(14-5)21-31(18,11-2)22-35(15-6)24-33(13-4,20-30)26-36(16-7,25-32)29-37(17-8,27-34)28-35/h18H,10-17H2,1-9H3
InChIKeyFICTYXIIVIIIFO-UHFFFAOYSA-N
MW665.22 g/mol
LogP4.02
Rot. Bonds8

About 1,3,5,7,9,11,13,15-octaethyl-7-hydroxy-13-methyl-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-7-hydroxy-13-methyl-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 58898346) has the molecular formula C17H44O12Si8 and a molecular weight of 665.22 g/mol. Its IUPAC name is 1,3,5,7,9,11,13,15-octaethyl-7-hydroxy-13-methyl-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-7-hydroxy-13-methyl-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 CID58898346
Molecular FormulaC17H44O12Si8
Molecular Weight665.22 g/mol
Exact Mass664.10
IUPAC Name1,3,5,7,9,11,13,15-octaethyl-7-hydroxy-13-methyl-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[Si]1(C)O[Si]2(CC)O[Si]3(CC)O[Si](O)(CC)O[Si]4(CC)O[Si](CC)(O1)O[Si](CC)(O2)O[Si](CC)(O3)O4
InChIInChI=1S/C17H44O12Si8/c1-10-30(9)19-32(12-3)23-34(14-5)21-31(18,11-2)22-35(15-6)24-33(13-4,20-30)26-36(16-7,25-32)29-37(17-8,27-34)28-35/h18H,10-17H2,1-9H3
InChIKeyFICTYXIIVIIIFO-UHFFFAOYSA-N
XLogP4.02
TPSA121.76 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.22
LogP ≤ 54.02
H-Bond Donors ≤ 51
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-7-hydroxy-13-methyl-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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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13,15-octaethyl-7-hydroxy-13-methyl-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-7-hydroxy-13-methyl-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 58898346) is 1,3,5,7,9,11,13,15-octaethyl-7-hydroxy-13-methyl-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-7-hydroxy-13-methyl-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-7-hydroxy-13-methyl-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[Si]1(C)O[Si]2(CC)O[Si]3(CC)O[Si](O)(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-7-hydroxy-13-methyl-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 FICTYXIIVIIIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H44O12Si8/c1-10-30(9)19-32(12-3)23-34(14-5)21-31(18,11-2)22-35(15-6)24-33(13-4,20-30)26-36(16-7,25-32)29-37(17-8,27-34)28-35/h18H,10-17H2,1-9H3.
What are the key properties of 1,3,5,7,9,11,13,15-octaethyl-7-hydroxy-13-methyl-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-7-hydroxy-13-methyl-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 665.22 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 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-7-hydroxy-13-methyl-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 58898346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).