potassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate

C20H48BrKN2O2Si4 — CID 158311895

IUPACpotassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate
SMILESC[Si]1(C)CC[Si](C)(C)N1CCCBr.C[Si]1(C)CC[Si](C)(C)N1CCCOCC[O-].[K+]
InChIInChI=1S/C11H26NO2Si2.C9H22BrNSi2.K/c1-15(2)10-11-16(3,4)12(15)6-5-8-14-9-7-13;1-12(2)8-9-13(3,4)11(12)7-5-6-10;/h5-11H2,1-4H3;5-9H2,1-4H3;/q-1;;+1
InChIKeyNHNJVQDMYYLAFX-UHFFFAOYSA-N
MW579.96 g/mol
LogP1.98
Rot. Bonds9

About potassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate

potassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate (PubChem CID 158311895) has the molecular formula C20H48BrKN2O2Si4 and a molecular weight of 579.96 g/mol. Its IUPAC name is potassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate.

Molecular Properties

Compound Namepotassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate
PubChem CID158311895
Molecular FormulaC20H48BrKN2O2Si4
Molecular Weight579.96 g/mol
Exact Mass578.16
IUPAC Namepotassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate
SMILESC[Si]1(C)CC[Si](C)(C)N1CCCBr.C[Si]1(C)CC[Si](C)(C)N1CCCOCC[O-].[K+]
InChIInChI=1S/C11H26NO2Si2.C9H22BrNSi2.K/c1-15(2)10-11-16(3,4)12(15)6-5-8-14-9-7-13;1-12(2)8-9-13(3,4)11(12)7-5-6-10;/h5-11H2,1-4H3;5-9H2,1-4H3;/q-1;;+1
InChIKeyNHNJVQDMYYLAFX-UHFFFAOYSA-N
XLogP1.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.96
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate with MolForge

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Related Compounds

1-butyl-2,2,6,6-tetramethyl-1,2,6-azadisilinane
CID 14195383
methylidene-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propyl]-λ3-iodane
CID 163651267
pentakis(2-butoxyethanolate);tantalum(5+)
CID 22112128
barium(2+);bis(2-butoxyethanolate)
CID 19598526
potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate
CID 159366457
1,5-bis(4-bromobutoxy)pentane
CID 139648570
1,8-bis(4-bromobutoxy)octane
CID 139648501
potassium 2-(2-ethoxyethoxy)ethanolate
CID 23702464
disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate
CID 134883757
disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate
CID 134896706
2-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)acetonitrile
CID 87071868
1-bromo-3-(2-methoxyethoxy)propane
CID 15636133

Frequently Asked Questions

What is the IUPAC name of potassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate?
The IUPAC name of potassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate (CID 158311895) is potassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate.
What is the SMILES notation for potassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate?
The canonical SMILES for potassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate is C[Si]1(C)CC[Si](C)(C)N1CCCBr.C[Si]1(C)CC[Si](C)(C)N1CCCOCC[O-].[K+].
What is the InChIKey of potassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate?
The InChIKey is NHNJVQDMYYLAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO2Si2.C9H22BrNSi2.K/c1-15(2)10-11-16(3,4)12(15)6-5-8-14-9-7-13;1-12(2)8-9-13(3,4)11(12)7-5-6-10;/h5-11H2,1-4H3;5-9H2,1-4H3;/q-1;;+1.
What are the key properties of potassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate?
potassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate has a molecular weight of 579.96 g/mol, XLogP of 1.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine;2-[3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)propoxy]ethanolate is sourced from PubChem (CID 158311895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).