octadecyl(1-triethoxysilylpropyl)azanium chloride

C27H60ClNO3Si — CID 141004157

IUPACoctadecyl(1-triethoxysilylpropyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCC[NH2+]C(CC)[Si](OCC)(OCC)OCC.[Cl-]
InChIInChI=1S/C27H59NO3Si.ClH/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-27(7-2)32(29-8-3,30-9-4)31-10-5;/h27-28H,6-26H2,1-5H3;1H
InChIKeyCDYNNJLOHRMTLO-UHFFFAOYSA-N
MW510.32 g/mol
LogP4.18
Rot. Bonds26

About octadecyl(1-triethoxysilylpropyl)azanium chloride

octadecyl(1-triethoxysilylpropyl)azanium chloride (PubChem CID 141004157) has the molecular formula C27H60ClNO3Si and a molecular weight of 510.32 g/mol. Its IUPAC name is octadecyl(1-triethoxysilylpropyl)azanium chloride.

Molecular Properties

Compound Nameoctadecyl(1-triethoxysilylpropyl)azanium chloride
PubChem CID141004157
Molecular FormulaC27H60ClNO3Si
Molecular Weight510.32 g/mol
Exact Mass509.40
IUPAC Nameoctadecyl(1-triethoxysilylpropyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCC[NH2+]C(CC)[Si](OCC)(OCC)OCC.[Cl-]
InChIInChI=1S/C27H59NO3Si.ClH/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-27(7-2)32(29-8-3,30-9-4)31-10-5;/h27-28H,6-26H2,1-5H3;1H
InChIKeyCDYNNJLOHRMTLO-UHFFFAOYSA-N
XLogP4.18
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
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

1-triethoxysilyldecan-1-amine
CID 87463354
N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride
CID 173045206
trihexyl(1-triethoxysilylpropyl)azanium
CID 57211677
N,N-dimethyl-1-triethoxysilylhexan-1-amine
CID 89262216
2-triethoxysilyldodecanal
CID 162716787
tributyl(1-triethoxysilylpropyl)phosphanium
CID 22910406
triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane
CID 54431230
N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine
CID 175408992
N,N-dimethyl-6-triethoxysilylhenicosan-4-amine
CID 175028426
undecane chloride
CID 19736895
butyl(tetradecyl)azanium chloride
CID 20788665
azanium;dioctadecylazanium;dichloride
CID 172767895

Frequently Asked Questions

What is the IUPAC name of octadecyl(1-triethoxysilylpropyl)azanium chloride?
The IUPAC name of octadecyl(1-triethoxysilylpropyl)azanium chloride (CID 141004157) is octadecyl(1-triethoxysilylpropyl)azanium chloride.
What is the SMILES notation for octadecyl(1-triethoxysilylpropyl)azanium chloride?
The canonical SMILES for octadecyl(1-triethoxysilylpropyl)azanium chloride is CCCCCCCCCCCCCCCCCC[NH2+]C(CC)[Si](OCC)(OCC)OCC.[Cl-].
What is the InChIKey of octadecyl(1-triethoxysilylpropyl)azanium chloride?
The InChIKey is CDYNNJLOHRMTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H59NO3Si.ClH/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-27(7-2)32(29-8-3,30-9-4)31-10-5;/h27-28H,6-26H2,1-5H3;1H.
What are the key properties of octadecyl(1-triethoxysilylpropyl)azanium chloride?
octadecyl(1-triethoxysilylpropyl)azanium chloride has a molecular weight of 510.32 g/mol, XLogP of 4.18, 26 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl(1-triethoxysilylpropyl)azanium chloride is sourced from PubChem (CID 141004157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).