potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide

C12H23BF3KOSi — CID 23696339

IUPACpotassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide
SMILESCC(C)(C)[Si](C)(C)OCCCCC#C[B-](F)(F)F.[K+]
InChIInChI=1S/C12H23BF3OSi.K/c1-12(2,3)18(4,5)17-11-9-7-6-8-10-13(14,15)16;/h6-7,9,11H2,1-5H3;/q-1;+1
InChIKeyMZVZLORWYLMIGR-UHFFFAOYSA-N
MW318.31 g/mol
LogP1.57
Rot. Bonds5

About potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide

potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide (PubChem CID 23696339) has the molecular formula C12H23BF3KOSi and a molecular weight of 318.31 g/mol. Its IUPAC name is potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide
PubChem CID23696339
Molecular FormulaC12H23BF3KOSi
Molecular Weight318.31 g/mol
Exact Mass318.12
IUPAC Namepotassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide
SMILESCC(C)(C)[Si](C)(C)OCCCCC#C[B-](F)(F)F.[K+]
InChIInChI=1S/C12H23BF3OSi.K/c1-12(2,3)18(4,5)17-11-9-7-6-8-10-13(14,15)16;/h6-7,9,11H2,1-5H3;/q-1;+1
InChIKeyMZVZLORWYLMIGR-UHFFFAOYSA-N
XLogP1.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide with MolForge

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Related Compounds

tert-butyl-(7-iodohept-6-ynoxy)-dimethylsilane
CID 87614781
13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane
CID 11222996
potassium 5-[tert-butyl(dimethyl)silyl]oxypentyl-trifluoroboranuide
CID 170898956
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-hexadec-15-ynoxy-dimethylsilane
CID 23073442
lithium tert-butyl-hex-5-ynoxy-dimethylsilane
CID 11009447
tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane
CID 54672543
13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol
CID 86668329
tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane
CID 87614824
tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane
CID 59341246

Frequently Asked Questions

What is the IUPAC name of potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide?
The IUPAC name of potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide (CID 23696339) is potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide.
What is the SMILES notation for potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide?
The canonical SMILES for potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide is CC(C)(C)[Si](C)(C)OCCCCC#C[B-](F)(F)F.[K+].
What is the InChIKey of potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide?
The InChIKey is MZVZLORWYLMIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BF3OSi.K/c1-12(2,3)18(4,5)17-11-9-7-6-8-10-13(14,15)16;/h6-7,9,11H2,1-5H3;/q-1;+1.
What are the key properties of potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide?
potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide has a molecular weight of 318.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide is sourced from PubChem (CID 23696339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).