3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium

C42H82NO6Si5+ — CID 160645610

IUPAC3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(O[Si](OC)(O[SiH2]C)O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C42H82NO6Si5/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32-38-43(2,3)39-33-40-53(44-4,47-51(7,8)41-34-28-26-29-35-41)49-54(45-5,46-50-6)48-52(9,10)42-36-30-27-31-37-42/h26-31,34-37H,11-25,32-33,38-40,50H2,1-10H3/q+1
InChIKeyJXTCIKXKQSTBKO-UHFFFAOYSA-N
MW837.55 g/mol
LogP9.80
Rot. Bonds33

About 3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium

3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium (PubChem CID 160645610) has the molecular formula C42H82NO6Si5+ and a molecular weight of 837.55 g/mol. Its IUPAC name is 3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium.

Molecular Properties

Compound Name3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium
PubChem CID160645610
Molecular FormulaC42H82NO6Si5+
Molecular Weight837.55 g/mol
Exact Mass836.50
IUPAC Name3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(O[Si](OC)(O[SiH2]C)O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C42H82NO6Si5/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32-38-43(2,3)39-33-40-53(44-4,47-51(7,8)41-34-28-26-29-35-41)49-54(45-5,46-50-6)48-52(9,10)42-36-30-27-31-37-42/h26-31,34-37H,11-25,32-33,38-40,50H2,1-10H3/q+1
InChIKeyJXTCIKXKQSTBKO-UHFFFAOYSA-N
XLogP9.80
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds33
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.55
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride
CID 177125282
N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride
CID 177125346
Dimethyl-octyl-(1-triphenylsilyloxyethyl)azanium bromide
CID 19839242
Didodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide
CID 19839250
Dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride
CID 19839275
1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine
CID 19902660
1-[dimethoxy(phenyl)silyl]-N-[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine
CID 19902663
N-[[di(icosyl)amino]-diphenylsilyl]-N-icosylicosan-1-amine
CID 20367115
CID 23596930
CID 23596930
3-[Dimethoxy(phenyl)silyl]propyl-dimethyl-octadecylazanium
CID 54096224
3-[dimethoxy(phenyl)silyl]-N-[3-[dimethoxy(phenyl)silyl]propyl]propan-1-amine
CID 54278661
3-[dimethoxy(phenyl)silyl]-N,N-bis[3-[dimethoxy(phenyl)silyl]propyl]propan-1-amine
CID 54289355

Frequently Asked Questions

What is the IUPAC name of 3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium?
The IUPAC name of 3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium (CID 160645610) is 3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium.
What is the SMILES notation for 3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium?
The canonical SMILES for 3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium is CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(O[Si](OC)(O[SiH2]C)O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1.
What is the InChIKey of 3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium?
The InChIKey is JXTCIKXKQSTBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H82NO6Si5/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32-38-43(2,3)39-33-40-53(44-4,47-51(7,8)41-34-28-26-29-35-41)49-54(45-5,46-50-6)48-52(9,10)42-36-30-27-31-37-42/h26-31,34-37H,11-25,32-33,38-40,50H2,1-10H3/q+1.
What are the key properties of 3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium?
3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium has a molecular weight of 837.55 g/mol, XLogP of 9.80, 33 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium is sourced from PubChem (CID 160645610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).