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

C14H31BF3KO4Si — CID 170897302

IUPACpotassium 2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide
SMILESCC(C)(C)[Si](C)(C)OCCOCCOCCOCC[B-](F)(F)F.[K+]
InChIInChI=1S/C14H31BF3O4Si.K/c1-14(2,3)23(4,5)22-13-12-21-11-10-20-9-8-19-7-6-15(16,17)18;/h6-13H2,1-5H3;/q-1;+1
InChIKeySPWVQXZAPSUDPQ-UHFFFAOYSA-N
MW398.39 g/mol
LogP0.91
Rot. Bonds13

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

potassium 2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide (PubChem CID 170897302) has the molecular formula C14H31BF3KO4Si and a molecular weight of 398.39 g/mol. Its IUPAC name is potassium 2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide
PubChem CID170897302
Molecular FormulaC14H31BF3KO4Si
Molecular Weight398.39 g/mol
Exact Mass398.17
IUPAC Namepotassium 2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide
SMILESCC(C)(C)[Si](C)(C)OCCOCCOCCOCC[B-](F)(F)F.[K+]
InChIInChI=1S/C14H31BF3O4Si.K/c1-14(2,3)23(4,5)22-13-12-21-11-10-20-9-8-19-7-6-15(16,17)18;/h6-13H2,1-5H3;/q-1;+1
InChIKeySPWVQXZAPSUDPQ-UHFFFAOYSA-N
XLogP0.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide?
The IUPAC name of potassium 2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide (CID 170897302) is potassium 2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide.
What is the SMILES notation for potassium 2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide?
The canonical SMILES for potassium 2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide is CC(C)(C)[Si](C)(C)OCCOCCOCCOCC[B-](F)(F)F.[K+].
What is the InChIKey of potassium 2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide?
The InChIKey is SPWVQXZAPSUDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31BF3O4Si.K/c1-14(2,3)23(4,5)22-13-12-21-11-10-20-9-8-19-7-6-15(16,17)18;/h6-13H2,1-5H3;/q-1;+1.
What are the key properties of potassium 2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide?
potassium 2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide has a molecular weight of 398.39 g/mol, XLogP of 0.91, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide is sourced from PubChem (CID 170897302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).