decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride

C15H36ClNO3Si — CID 158874398

IUPACdecyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride
SMILESCCCCCCCCCC[N+](C)(C)CCC[Si](O)(O)O.[Cl-]
InChIInChI=1S/C15H36NO3Si.ClH/c1-4-5-6-7-8-9-10-11-13-16(2,3)14-12-15-20(17,18)19;/h17-19H,4-15H2,1-3H3;1H/q+1;/p-1
InChIKeyMGSISSPTXOHJNI-UHFFFAOYSA-M
MW342.00 g/mol
LogP-0.49
Rot. Bonds13

About decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride

decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride (PubChem CID 158874398) has the molecular formula C15H36ClNO3Si and a molecular weight of 342.00 g/mol. Its IUPAC name is decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride.

Molecular Properties

Compound Namedecyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride
PubChem CID158874398
Molecular FormulaC15H36ClNO3Si
Molecular Weight342.00 g/mol
Exact Mass341.22
IUPAC Namedecyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride
SMILESCCCCCCCCCC[N+](C)(C)CCC[Si](O)(O)O.[Cl-]
InChIInChI=1S/C15H36NO3Si.ClH/c1-4-5-6-7-8-9-10-11-13-16(2,3)14-12-15-20(17,18)19;/h17-19H,4-15H2,1-3H3;1H/q+1;/p-1
InChIKeyMGSISSPTXOHJNI-UHFFFAOYSA-M
XLogP-0.49
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.00
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
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

3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium
CID 59114964
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
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280

Frequently Asked Questions

What is the IUPAC name of decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride?
The IUPAC name of decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride (CID 158874398) is decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride.
What is the SMILES notation for decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride?
The canonical SMILES for decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride is CCCCCCCCCC[N+](C)(C)CCC[Si](O)(O)O.[Cl-].
What is the InChIKey of decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride?
The InChIKey is MGSISSPTXOHJNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H36NO3Si.ClH/c1-4-5-6-7-8-9-10-11-13-16(2,3)14-12-15-20(17,18)19;/h17-19H,4-15H2,1-3H3;1H/q+1;/p-1.
What are the key properties of decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride?
decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride has a molecular weight of 342.00 g/mol, XLogP of -0.49, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride is sourced from PubChem (CID 158874398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).