tetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane

C18H33BF12O13S4Si2 — CID 10079373

IUPACtetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane
SMILESCCCCC(C[CH+]C[Si](C)(C)C)O[Si](C)(C)C.O=S(=O)(O[B-](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H33OSi2.C4BF12O12S4/c1-8-9-11-14(15-17(5,6)7)12-10-13-16(2,3)4;6-1(7,8)30(18,19)26-5(27-31(20,21)2(9,10)11,28-32(22,23)3(12,13)14)29-33(24,25)4(15,16)17/h10,14H,8-9,11-13H2,1-7H3;/q+1;-1
InChIKeyAUSQNEHYAXBRHH-UHFFFAOYSA-N
MW880.68 g/mol
LogP6.22
Rot. Bonds17

About tetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane

tetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane (PubChem CID 10079373) has the molecular formula C18H33BF12O13S4Si2 and a molecular weight of 880.68 g/mol. Its IUPAC name is tetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane.

Molecular Properties

Compound Nametetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane
PubChem CID10079373
Molecular FormulaC18H33BF12O13S4Si2
Molecular Weight880.68 g/mol
Exact Mass880.02
IUPAC Nametetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane
SMILESCCCCC(C[CH+]C[Si](C)(C)C)O[Si](C)(C)C.O=S(=O)(O[B-](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H33OSi2.C4BF12O12S4/c1-8-9-11-14(15-17(5,6)7)12-10-13-16(2,3)4;6-1(7,8)30(18,19)26-5(27-31(20,21)2(9,10)11,28-32(22,23)3(12,13)14)29-33(24,25)4(15,16)17/h10,14H,8-9,11-13H2,1-7H3;/q+1;-1
InChIKeyAUSQNEHYAXBRHH-UHFFFAOYSA-N
XLogP6.22
TPSA182.71 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500880.68
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide
CID 10373637
tributyl(trifluoromethylsulfonyloxy)phosphanium
CID 87465902
6-trimethylsilyloxydecan-5-one
CID 101053254
[tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate
CID 134977303
decan-5-yloxy(trimethyl)silane
CID 553210
3-(trifluoromethylsulfonyloxy)heptan-2-yl trifluoromethanesulfonate
CID 89439711
2-bromooxyheptanoic acid
CID 151321599
azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid
CID 174524240
(2S)-2-(3,3,3-trifluoropropylsulfonylamino)hexanoic acid
CID 122070574
(2S)-2-methoxyhexanoic acid
CID 129373931
1-fluorononyl trifluoromethanesulfonate
CID 122369701
nonan-5-yl hypofluorite
CID 174958722

Frequently Asked Questions

What is the IUPAC name of tetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane?
The IUPAC name of tetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane (CID 10079373) is tetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane.
What is the SMILES notation for tetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane?
The canonical SMILES for tetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane is CCCCC(C[CH+]C[Si](C)(C)C)O[Si](C)(C)C.O=S(=O)(O[B-](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of tetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane?
The InChIKey is AUSQNEHYAXBRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33OSi2.C4BF12O12S4/c1-8-9-11-14(15-17(5,6)7)12-10-13-16(2,3)4;6-1(7,8)30(18,19)26-5(27-31(20,21)2(9,10)11,28-32(22,23)3(12,13)14)29-33(24,25)4(15,16)17/h10,14H,8-9,11-13H2,1-7H3;/q+1;-1.
What are the key properties of tetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane?
tetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane has a molecular weight of 880.68 g/mol, XLogP of 6.22, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane is sourced from PubChem (CID 10079373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).