3-ethylhexyl-dipentyl-triethoxysilylazanium chloride

C24H54ClNO3Si — CID 19963826

IUPAC3-ethylhexyl-dipentyl-triethoxysilylazanium chloride
SMILESCCCCC[N+](CCCCC)(CCC(CC)CCC)[Si](OCC)(OCC)OCC.[Cl-]
InChIInChI=1S/C24H54NO3Si.ClH/c1-8-15-17-21-25(22-18-16-9-2,23-20-24(11-4)19-10-3)29(26-12-5,27-13-6)28-14-7;/h24H,8-23H2,1-7H3;1H/q+1;/p-1
InChIKeyVETJJNDTZRRSQP-UHFFFAOYSA-M
MW468.24 g/mol
LogP3.95
Rot. Bonds21

About 3-ethylhexyl-dipentyl-triethoxysilylazanium chloride

3-ethylhexyl-dipentyl-triethoxysilylazanium chloride (PubChem CID 19963826) has the molecular formula C24H54ClNO3Si and a molecular weight of 468.24 g/mol. Its IUPAC name is 3-ethylhexyl-dipentyl-triethoxysilylazanium chloride.

Molecular Properties

Compound Name3-ethylhexyl-dipentyl-triethoxysilylazanium chloride
PubChem CID19963826
Molecular FormulaC24H54ClNO3Si
Molecular Weight468.24 g/mol
Exact Mass467.36
IUPAC Name3-ethylhexyl-dipentyl-triethoxysilylazanium chloride
SMILESCCCCC[N+](CCCCC)(CCC(CC)CCC)[Si](OCC)(OCC)OCC.[Cl-]
InChIInChI=1S/C24H54NO3Si.ClH/c1-8-15-17-21-25(22-18-16-9-2,23-20-24(11-4)19-10-3)29(26-12-5,27-13-6)28-14-7;/h24H,8-23H2,1-7H3;1H/q+1;/p-1
InChIKeyVETJJNDTZRRSQP-UHFFFAOYSA-M
XLogP3.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.24
LogP ≤ 53.95
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'}

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Related Compounds

tripentyl(triethoxysilyl)azanium
CID 67722445
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
dodecyl-(2-ethylpentoxymethyl)-dimethylazanium chloride
CID 10833478
diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride
CID 164851776
5-ethylnonane;5-propylnonane
CID 157441807
8-(3-ethylhexyl)hexadecane
CID 123944120
4-ethylheptane;methane
CID 143165373
trihexyl(1-triethoxysilylpropyl)azanium
CID 57211677
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872

Frequently Asked Questions

What is the IUPAC name of 3-ethylhexyl-dipentyl-triethoxysilylazanium chloride?
The IUPAC name of 3-ethylhexyl-dipentyl-triethoxysilylazanium chloride (CID 19963826) is 3-ethylhexyl-dipentyl-triethoxysilylazanium chloride.
What is the SMILES notation for 3-ethylhexyl-dipentyl-triethoxysilylazanium chloride?
The canonical SMILES for 3-ethylhexyl-dipentyl-triethoxysilylazanium chloride is CCCCC[N+](CCCCC)(CCC(CC)CCC)[Si](OCC)(OCC)OCC.[Cl-].
What is the InChIKey of 3-ethylhexyl-dipentyl-triethoxysilylazanium chloride?
The InChIKey is VETJJNDTZRRSQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H54NO3Si.ClH/c1-8-15-17-21-25(22-18-16-9-2,23-20-24(11-4)19-10-3)29(26-12-5,27-13-6)28-14-7;/h24H,8-23H2,1-7H3;1H/q+1;/p-1.
What are the key properties of 3-ethylhexyl-dipentyl-triethoxysilylazanium chloride?
3-ethylhexyl-dipentyl-triethoxysilylazanium chloride has a molecular weight of 468.24 g/mol, XLogP of 3.95, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylhexyl-dipentyl-triethoxysilylazanium chloride is sourced from PubChem (CID 19963826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).