diethoxymethylsilane;dimethyl-octadecyl-propylazanium

C28H64NO2Si+ — CID 174982046

IUPACdiethoxymethylsilane;dimethyl-octadecyl-propylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC.CCOC([SiH3])OCC
InChIInChI=1S/C23H50N.C5H14O2Si/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3,4)22-6-2;1-3-6-5(8)7-4-2/h5-23H2,1-4H3;5H,3-4H2,1-2,8H3/q+1;
InChIKeyJHZBQVPXUHBSTM-UHFFFAOYSA-N
MW474.91 g/mol
LogP7.44
Rot. Bonds23

About diethoxymethylsilane;dimethyl-octadecyl-propylazanium

diethoxymethylsilane;dimethyl-octadecyl-propylazanium (PubChem CID 174982046) has the molecular formula C28H64NO2Si+ and a molecular weight of 474.91 g/mol. Its IUPAC name is diethoxymethylsilane;dimethyl-octadecyl-propylazanium.

Molecular Properties

Compound Namediethoxymethylsilane;dimethyl-octadecyl-propylazanium
PubChem CID174982046
Molecular FormulaC28H64NO2Si+
Molecular Weight474.91 g/mol
Exact Mass474.47
IUPAC Namediethoxymethylsilane;dimethyl-octadecyl-propylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC.CCOC([SiH3])OCC
InChIInChI=1S/C23H50N.C5H14O2Si/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3,4)22-6-2;1-3-6-5(8)7-4-2/h5-23H2,1-4H3;5H,3-4H2,1-2,8H3/q+1;
InChIKeyJHZBQVPXUHBSTM-UHFFFAOYSA-N
XLogP7.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.91
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

heptadecyl-dimethyl-propylazanium
CID 156729751
decyl-dimethyl-tetradecylazanium
CID 13075680
dodecyl-dimethyl-undecylazanium
CID 21491028
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium
CID 175720257
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282

Frequently Asked Questions

What is the IUPAC name of diethoxymethylsilane;dimethyl-octadecyl-propylazanium?
The IUPAC name of diethoxymethylsilane;dimethyl-octadecyl-propylazanium (CID 174982046) is diethoxymethylsilane;dimethyl-octadecyl-propylazanium.
What is the SMILES notation for diethoxymethylsilane;dimethyl-octadecyl-propylazanium?
The canonical SMILES for diethoxymethylsilane;dimethyl-octadecyl-propylazanium is CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC.CCOC([SiH3])OCC.
What is the InChIKey of diethoxymethylsilane;dimethyl-octadecyl-propylazanium?
The InChIKey is JHZBQVPXUHBSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N.C5H14O2Si/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3,4)22-6-2;1-3-6-5(8)7-4-2/h5-23H2,1-4H3;5H,3-4H2,1-2,8H3/q+1;.
What are the key properties of diethoxymethylsilane;dimethyl-octadecyl-propylazanium?
diethoxymethylsilane;dimethyl-octadecyl-propylazanium has a molecular weight of 474.91 g/mol, XLogP of 7.44, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethylsilane;dimethyl-octadecyl-propylazanium is sourced from PubChem (CID 174982046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).