potassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide

C16H35BF3KO5Si — CID 170899742

IUPACpotassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide
SMILESCC(C)(C)[Si](C)(C)OCCOCCOCCOCCOCC[B-](F)(F)F.[K+]
InChIInChI=1S/C16H35BF3O5Si.K/c1-16(2,3)26(4,5)25-15-14-24-13-12-23-11-10-22-9-8-21-7-6-17(18,19)20;/h6-15H2,1-5H3;/q-1;+1
InChIKeyGWRCZQCUXCSQTR-UHFFFAOYSA-N
MW442.44 g/mol
LogP0.93
Rot. Bonds16

About potassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide

potassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide (PubChem CID 170899742) has the molecular formula C16H35BF3KO5Si and a molecular weight of 442.44 g/mol. Its IUPAC name is potassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide
PubChem CID170899742
Molecular FormulaC16H35BF3KO5Si
Molecular Weight442.44 g/mol
Exact Mass442.19
IUPAC Namepotassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide
SMILESCC(C)(C)[Si](C)(C)OCCOCCOCCOCCOCC[B-](F)(F)F.[K+]
InChIInChI=1S/C16H35BF3O5Si.K/c1-16(2,3)26(4,5)25-15-14-24-13-12-23-11-10-22-9-8-21-7-6-17(18,19)20;/h6-15H2,1-5H3;/q-1;+1
InChIKeyGWRCZQCUXCSQTR-UHFFFAOYSA-N
XLogP0.93
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide?
The IUPAC name of potassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide (CID 170899742) is potassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide.
What is the SMILES notation for potassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide?
The canonical SMILES for potassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide is CC(C)(C)[Si](C)(C)OCCOCCOCCOCCOCC[B-](F)(F)F.[K+].
What is the InChIKey of potassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide?
The InChIKey is GWRCZQCUXCSQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35BF3O5Si.K/c1-16(2,3)26(4,5)25-15-14-24-13-12-23-11-10-22-9-8-21-7-6-17(18,19)20;/h6-15H2,1-5H3;/q-1;+1.
What are the key properties of potassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide?
potassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide has a molecular weight of 442.44 g/mol, XLogP of 0.93, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide is sourced from PubChem (CID 170899742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).