[6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride

C20H49ClN2O4Si4 — CID 167672800

IUPAC[6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride
SMILESCC[Si](=O)C[Si](CCCNC(=O)CCCCC[NH+](C)C)(C[Si](=O)CC)O[Si](C)(C)C.[Cl-].[H][H]
InChIInChI=1S/C20H46N2O4Si4.ClH.H2/c1-8-27(24)18-30(19-28(25)9-2,26-29(5,6)7)17-13-15-21-20(23)14-11-10-12-16-22(3)4;;/h8-19H2,1-7H3,(H,21,23);2*1H
InChIKeyFQLCOICZERJIJW-UHFFFAOYSA-N
MW529.42 g/mol
LogP0.21
Rot. Bonds18

About [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride

[6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride (PubChem CID 167672800) has the molecular formula C20H49ClN2O4Si4 and a molecular weight of 529.42 g/mol. Its IUPAC name is [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride.

Molecular Properties

Compound Name[6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride
PubChem CID167672800
Molecular FormulaC20H49ClN2O4Si4
Molecular Weight529.42 g/mol
Exact Mass528.25
IUPAC Name[6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride
SMILESCC[Si](=O)C[Si](CCCNC(=O)CCCCC[NH+](C)C)(C[Si](=O)CC)O[Si](C)(C)C.[Cl-].[H][H]
InChIInChI=1S/C20H46N2O4Si4.ClH.H2/c1-8-27(24)18-30(19-28(25)9-2,26-29(5,6)7)17-13-15-21-20(23)14-11-10-12-16-22(3)4;;/h8-19H2,1-7H3,(H,21,23);2*1H
InChIKeyFQLCOICZERJIJW-UHFFFAOYSA-N
XLogP0.21
TPSA76.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.42
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride with MolForge

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Related Compounds

dimethyl-[6-oxo-6-[3-tris(trimethylsilyloxy)silylpropylamino]hexyl]azanium
CID 167366189
[6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium
CID 169031165
[6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-(4-sulfobutyl)azanium
CID 156682479
5-[[6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazaniumyl]pentane-1-sulfonate
CID 166047651
4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid
CID 59172342
ethane;molecular hydrogen;N-pentyltridecanamide
CID 142045594
N-[6-(hydroxyamino)-6-oxohexyl]octanamide
CID 155292893
N-(3-trimethoxysilylpropyl)tricosanamide
CID 175992989
N-(3-trimethoxysilylpropyl)octanamide
CID 71362207
N-(3-aminooxypropyl)hexadecanamide
CID 88573336
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium
CID 143434250

Frequently Asked Questions

What is the IUPAC name of [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride?
The IUPAC name of [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride (CID 167672800) is [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride.
What is the SMILES notation for [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride?
The canonical SMILES for [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride is CC[Si](=O)C[Si](CCCNC(=O)CCCCC[NH+](C)C)(C[Si](=O)CC)O[Si](C)(C)C.[Cl-].[H][H].
What is the InChIKey of [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride?
The InChIKey is FQLCOICZERJIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46N2O4Si4.ClH.H2/c1-8-27(24)18-30(19-28(25)9-2,26-29(5,6)7)17-13-15-21-20(23)14-11-10-12-16-22(3)4;;/h8-19H2,1-7H3,(H,21,23);2*1H.
What are the key properties of [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride?
[6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride has a molecular weight of 529.42 g/mol, XLogP of 0.21, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethylazanium;molecular hydrogen;chloride is sourced from PubChem (CID 167672800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).