diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride

C36H78ClNO3Si — CID 164851776

IUPACdiethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCC[Si](OCC)(OCC)OCC.[Cl-]
InChIInChI=1S/C36H78NO3Si.ClH/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-25-28-31-34-37(8-2,9-3)35-32-29-26-27-30-33-36-41(38-10-4,39-11-5)40-12-6;/h7-36H2,1-6H3;1H/q+1;/p-1
InChIKeyVKCNFBVZFFHSGE-UHFFFAOYSA-M
MW636.56 g/mol
LogP8.50
Rot. Bonds34

About diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride

diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride (PubChem CID 164851776) has the molecular formula C36H78ClNO3Si and a molecular weight of 636.56 g/mol. Its IUPAC name is diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride.

Molecular Properties

Compound Namediethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride
PubChem CID164851776
Molecular FormulaC36H78ClNO3Si
Molecular Weight636.56 g/mol
Exact Mass635.54
IUPAC Namediethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCC[Si](OCC)(OCC)OCC.[Cl-]
InChIInChI=1S/C36H78NO3Si.ClH/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-25-28-31-34-37(8-2,9-3)35-32-29-26-27-30-33-36-41(38-10-4,39-11-5)40-12-6;/h7-36H2,1-6H3;1H/q+1;/p-1
InChIKeyVKCNFBVZFFHSGE-UHFFFAOYSA-M
XLogP8.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds34
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.56
LogP ≤ 58.50
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

diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride
CID 158250093
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
ethyl-methyl-octadecyl-(3-triethoxysilylpropyl)azanium
CID 172724768
tributyl(3-triethoxysilylpropyl)azanium iodide
CID 139933506
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
triethyl(3-triethoxysilylpropyl)azanium iodide
CID 139933517
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020

Frequently Asked Questions

What is the IUPAC name of diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride?
The IUPAC name of diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride (CID 164851776) is diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride.
What is the SMILES notation for diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride?
The canonical SMILES for diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride is CCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCC[Si](OCC)(OCC)OCC.[Cl-].
What is the InChIKey of diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride?
The InChIKey is VKCNFBVZFFHSGE-UHFFFAOYSA-M. The full InChI is InChI=1S/C36H78NO3Si.ClH/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-25-28-31-34-37(8-2,9-3)35-32-29-26-27-30-33-36-41(38-10-4,39-11-5)40-12-6;/h7-36H2,1-6H3;1H/q+1;/p-1.
What are the key properties of diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride?
diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride has a molecular weight of 636.56 g/mol, XLogP of 8.50, 34 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride is sourced from PubChem (CID 164851776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).