diethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium

C16H42NO4Si3+ — CID 174243559

IUPACdiethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium
SMILESCC[N+](C)(CC)CC(O)COC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H42NO4Si3/c1-11-17(3,12-2)13-16(18)14-19-15-24(10,20-22(4,5)6)21-23(7,8)9/h16,18H,11-15H2,1-10H3/q+1
InChIKeyUUZKWDYMTFJCEU-UHFFFAOYSA-N
MW396.77 g/mol
LogP3.16
Rot. Bonds12

About diethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium

diethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium (PubChem CID 174243559) has the molecular formula C16H42NO4Si3+ and a molecular weight of 396.77 g/mol. Its IUPAC name is diethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium.

Molecular Properties

Compound Namediethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium
PubChem CID174243559
Molecular FormulaC16H42NO4Si3+
Molecular Weight396.77 g/mol
Exact Mass396.24
IUPAC Namediethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium
SMILESCC[N+](C)(CC)CC(O)COC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H42NO4Si3/c1-11-17(3,12-2)13-16(18)14-19-15-24(10,20-22(4,5)6)21-23(7,8)9/h16,18H,11-15H2,1-10H3/q+1
InChIKeyUUZKWDYMTFJCEU-UHFFFAOYSA-N
XLogP3.16
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

diethyl-[2-hydroxy-3-[3-[(methoxy-methyl-octadeca-1,3,5,7,9,11,13,15,17-nonaynylsilyl)oxy-methyl-trimethylsilyloxysilyl]propoxy]propyl]-methylazanium
CID 58122282
hexadecyl-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl]-dimethylazanium chloride
CID 131719621
ethyl-hexadecyl-(2-hydroxy-3-tridecoxypropyl)-methylazanium chloride
CID 139898647
diethyl-(2-hydroxybutyl)-methylazanium;ethyl-(2-hydroxybutyl)-dimethylazanium;dihydroxide
CID 159435761
diethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-methylazanium chloride
CID 19800674
3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol
CID 164730273
1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol;ethoxymethanol
CID 91232678
[3-[2-[2-[2-[3-[didodecyl(methyl)azaniumyl]-2-hydroxypropoxy]ethoxy]ethoxy]ethoxy]-2-hydroxypropyl]-didodecyl-methylazanium
CID 100954703
CID 164757725
CID 164757725
1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol
CID 170542201
tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde
CID 159941931
3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dodecyl-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol;3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-heptyl-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol;3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-nonylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol;3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-octylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol;3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-pentadecylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol;3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-tetradecylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol;3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-tridecylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol;3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-undecylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol
CID 165081510

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium?
The IUPAC name of diethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium (CID 174243559) is diethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium.
What is the SMILES notation for diethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium?
The canonical SMILES for diethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium is CC[N+](C)(CC)CC(O)COC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of diethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium?
The InChIKey is UUZKWDYMTFJCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H42NO4Si3/c1-11-17(3,12-2)13-16(18)14-19-15-24(10,20-22(4,5)6)21-23(7,8)9/h16,18H,11-15H2,1-10H3/q+1.
What are the key properties of diethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium?
diethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium has a molecular weight of 396.77 g/mol, XLogP of 3.16, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium is sourced from PubChem (CID 174243559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).