dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride

C27H60ClNO3Si — CID 71389770

IUPACdimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)C[Si](OCC)(OCC)OCC.[Cl-]
InChIInChI=1S/C27H60NO3Si.ClH/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(5,6)27-32(29-8-2,30-9-3)31-10-4;/h7-27H2,1-6H3;1H/q+1;/p-1
InChIKeyAVLFOFJZNSWNSZ-UHFFFAOYSA-M
MW510.32 g/mol
LogP4.92
Rot. Bonds25

About dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride

dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride (PubChem CID 71389770) has the molecular formula C27H60ClNO3Si and a molecular weight of 510.32 g/mol. Its IUPAC name is dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride.

Molecular Properties

Compound Namedimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride
PubChem CID71389770
Molecular FormulaC27H60ClNO3Si
Molecular Weight510.32 g/mol
Exact Mass509.40
IUPAC Namedimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)C[Si](OCC)(OCC)OCC.[Cl-]
InChIInChI=1S/C27H60NO3Si.ClH/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(5,6)27-32(29-8-2,30-9-3)31-10-4;/h7-27H2,1-6H3;1H/q+1;/p-1
InChIKeyAVLFOFJZNSWNSZ-UHFFFAOYSA-M
XLogP4.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.32
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

hexyl-dimethyl-(tributoxysilylmethyl)azanium
CID 71389755
decyl-dimethyl-(trimethoxysilylmethyl)azanium
CID 71389761
icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide
CID 164521068
decyl-dimethyl-nonylazanium chloride
CID 23185420
hexyl-icosyl-dimethylazanium chloride
CID 141083999
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415
decyl-hexyl-dimethylazanium chloride
CID 19369138
heptyl-[4-[hexadecyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 175704870
hexatriacontyl-hexyl-dimethylazanium
CID 141487817
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787

Frequently Asked Questions

What is the IUPAC name of dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride?
The IUPAC name of dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride (CID 71389770) is dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride.
What is the SMILES notation for dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride?
The canonical SMILES for dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride is CCCCCCCCCCCCCCCCCC[N+](C)(C)C[Si](OCC)(OCC)OCC.[Cl-].
What is the InChIKey of dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride?
The InChIKey is AVLFOFJZNSWNSZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H60NO3Si.ClH/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(5,6)27-32(29-8-2,30-9-3)31-10-4;/h7-27H2,1-6H3;1H/q+1;/p-1.
What are the key properties of dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride?
dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride has a molecular weight of 510.32 g/mol, XLogP of 4.92, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride is sourced from PubChem (CID 71389770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).