potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+)

C38H85KN3O7Si6Y — CID 139121037

IUPACpotassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+)
SMILESC1COCCOCCOCCOCCOCCO1.C=C([O-])[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.Cc1ccccc1.[K+].[Y+3]
InChIInChI=1S/C12H24O6.C7H18NOSi2.C7H8.2C6H18NSi2.K.Y/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-7(9)11(5,6)8-10(2,3)4;1-7-5-3-2-4-6-7;2*1-8(2,3)7-9(4,5)6;;/h1-12H2;9H,1H2,2-6H3;2-6H,1H3;2*1-6H3;;/q;-1;;2*-1;+1;+3/p-1
InChIKeyHRCVHXVHBIHMAQ-UHFFFAOYSA-M
MW992.63 g/mol
LogP6.97
Rot. Bonds7

About potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+)

potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+) (PubChem CID 139121037) has the molecular formula C38H85KN3O7Si6Y and a molecular weight of 992.63 g/mol. Its IUPAC name is potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+).

Molecular Properties

Compound Namepotassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+)
PubChem CID139121037
Molecular FormulaC38H85KN3O7Si6Y
Molecular Weight992.63 g/mol
Exact Mass991.37
IUPAC Namepotassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+)
SMILESC1COCCOCCOCCOCCOCCO1.C=C([O-])[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.Cc1ccccc1.[K+].[Y+3]
InChIInChI=1S/C12H24O6.C7H18NOSi2.C7H8.2C6H18NSi2.K.Y/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-7(9)11(5,6)8-10(2,3)4;1-7-5-3-2-4-6-7;2*1-8(2,3)7-9(4,5)6;;/h1-12H2;9H,1H2,2-6H3;2-6H,1H3;2*1-6H3;;/q;-1;;2*-1;+1;+3/p-1
InChIKeyHRCVHXVHBIHMAQ-UHFFFAOYSA-M
XLogP6.97
TPSA120.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.63
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+) with MolForge

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Related Compounds

magnesium;potassium;tris(bis(trimethylsilyl)azanide);toluene
CID 139106439
zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene
CID 139106442
1,4-dioxane;pyridine;toluene
CID 159427625
lithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene
CID 70626538
oxane;oxolane;toluene
CID 70182101
potassium;hydrogen carbonate;toluene
CID 174871430
bis(2-methylprop-1-ene);toluene
CID 158339604
dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate
CID 139118447
ethene;toluene
CID 22237200
methylcyclotriacontapentadecaene
CID 101240530
benzene;toluene
CID 158487474
titanium(2+);toluene
CID 22023820

Frequently Asked Questions

What is the IUPAC name of potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+)?
The IUPAC name of potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+) (CID 139121037) is potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+).
What is the SMILES notation for potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+)?
The canonical SMILES for potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+) is C1COCCOCCOCCOCCOCCO1.C=C([O-])[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.Cc1ccccc1.[K+].[Y+3].
What is the InChIKey of potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+)?
The InChIKey is HRCVHXVHBIHMAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24O6.C7H18NOSi2.C7H8.2C6H18NSi2.K.Y/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-7(9)11(5,6)8-10(2,3)4;1-7-5-3-2-4-6-7;2*1-8(2,3)7-9(4,5)6;;/h1-12H2;9H,1H2,2-6H3;2-6H,1H3;2*1-6H3;;/q;-1;;2*-1;+1;+3/p-1.
What are the key properties of potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+)?
potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+) has a molecular weight of 992.63 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+) is sourced from PubChem (CID 139121037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).