[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide

C20H28BClF12O13S4Si2 — CID 10373637

IUPAC[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide
SMILESC[Si](C)(C)C[CH+]CC(O[Si](C)(C)C)c1ccc(Cl)cc1.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/C16H28ClOSi2.C4BF12O12S4/c1-19(2,3)13-7-8-16(18-20(4,5)6)14-9-11-15(17)12-10-14;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/h7,9-12,16H,8,13H2,1-6H3;/q+1;-1
InChIKeyUWNSSDIBQZJUIA-UHFFFAOYSA-N
MW935.11 g/mol
LogP7.05
Rot. Bonds15

About [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide

[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide (PubChem CID 10373637) has the molecular formula C20H28BClF12O13S4Si2 and a molecular weight of 935.11 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide
PubChem CID10373637
Molecular FormulaC20H28BClF12O13S4Si2
Molecular Weight935.11 g/mol
Exact Mass933.95
IUPAC Name[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide
SMILESC[Si](C)(C)C[CH+]CC(O[Si](C)(C)C)c1ccc(Cl)cc1.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/C16H28ClOSi2.C4BF12O12S4/c1-19(2,3)13-7-8-16(18-20(4,5)6)14-9-11-15(17)12-10-14;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/h7,9-12,16H,8,13H2,1-6H3;/q+1;-1
InChIKeyUWNSSDIBQZJUIA-UHFFFAOYSA-N
XLogP7.05
TPSA182.71 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500935.11
LogP ≤ 57.05
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
CID 10373638
(4-chlorophenyl) trifluoromethanesulfonate
CID 581424
2-[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]-2-ethylbutanoic acid
CID 70574673
[1-(3-chloro-4-fluorophenyl)-2-fluoroethyl] trifluoromethanesulfonate
CID 118361867
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid
CID 70132721
(1S)-1-(4-chlorophenyl)-2-[2-[(2S)-2-(4-chlorophenyl)-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol
CID 135068116
2-[1-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5,5,5-trifluoropentanoic acid
CID 123201454
2-(4-chlorophenyl)-2-trimethylsilyloxyacetonitrile
CID 10776410
2-(4-chlorophenyl)-2-fluoroacetic acid
CID 12602113
2-(4-chlorophenyl)-3-(trifluoromethyl)hexanoic acid
CID 57022881
2-(4-chlorophenyl)-4-ethylsulfonylbutanoic acid
CID 79434809
[4-[1,2-bis(4-chlorophenyl)-2-oxoethyl]phenyl] trifluoromethanesulfonate
CID 11363822

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide?
The IUPAC name of [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide (CID 10373637) is [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide.
What is the SMILES notation for [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide?
The canonical SMILES for [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide is C[Si](C)(C)C[CH+]CC(O[Si](C)(C)C)c1ccc(Cl)cc1.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 [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide?
The InChIKey is UWNSSDIBQZJUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClOSi2.C4BF12O12S4/c1-19(2,3)13-7-8-16(18-20(4,5)6)14-9-11-15(17)12-10-14;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/h7,9-12,16H,8,13H2,1-6H3;/q+1;-1.
What are the key properties of [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide?
[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide has a molecular weight of 935.11 g/mol, XLogP of 7.05, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide is sourced from PubChem (CID 10373637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).