trimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate

C11H21F9O5Si3 — CID 24957966

IUPACtrimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate
SMILESCO[Si](OC)(OC)O[Si](C)(O[Si](C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H21F9O5Si3/c1-21-28(22-2,23-3)25-27(7,24-26(4,5)6)11(19,20)9(14,15)8(12,13)10(16,17)18/h1-7H3
InChIKeyZEQLEYXBJALSTL-UHFFFAOYSA-N
MW488.52 g/mol
LogP4.31
Rot. Bonds10

About trimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate

trimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate (PubChem CID 24957966) has the molecular formula C11H21F9O5Si3 and a molecular weight of 488.52 g/mol. Its IUPAC name is trimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate.

Molecular Properties

Compound Nametrimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate
PubChem CID24957966
Molecular FormulaC11H21F9O5Si3
Molecular Weight488.52 g/mol
Exact Mass488.06
IUPAC Nametrimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate
SMILESCO[Si](OC)(OC)O[Si](C)(O[Si](C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H21F9O5Si3/c1-21-28(22-2,23-3)25-27(7,24-26(4,5)6)11(19,20)9(14,15)8(12,13)10(16,17)18/h1-7H3
InChIKeyZEQLEYXBJALSTL-UHFFFAOYSA-N
XLogP4.31
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl trimethyl silicate
CID 175043271
titanium;trimethyl trimethoxysilyl silicate
CID 88632567
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-methyl-bis(trimethylsilyloxy)silane
CID 165430176
dimethoxy-methyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
CID 22600762
dimethoxy-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 2776323
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-hentriacontafluoroheptadecyl(trimethoxy)silane
CID 175694492
dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane
CID 141324690
boranyl [dimethoxy(methyl)silyl] dimethyl silicate
CID 59973694
dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane
CID 141389193
1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane
CID 87608961
1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane
CID 139751434
dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 146679665

Frequently Asked Questions

What is the IUPAC name of trimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate?
The IUPAC name of trimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate (CID 24957966) is trimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate.
What is the SMILES notation for trimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate?
The canonical SMILES for trimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate is CO[Si](OC)(OC)O[Si](C)(O[Si](C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of trimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate?
The InChIKey is ZEQLEYXBJALSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F9O5Si3/c1-21-28(22-2,23-3)25-27(7,24-26(4,5)6)11(19,20)9(14,15)8(12,13)10(16,17)18/h1-7H3.
What are the key properties of trimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate?
trimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate has a molecular weight of 488.52 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl [methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-trimethylsilyloxysilyl] silicate is sourced from PubChem (CID 24957966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).