icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide

C28H62INO3Si — CID 164521067

IUPACicosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide
SMILESCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[I-]
InChIInChI=1S/C28H62NO3Si.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(2,3)27-25-28-33(30-4,31-5)32-6;/h7-28H2,1-6H3;1H/q+1;/p-1
InChIKeyORCHBDAKXIDGCW-UHFFFAOYSA-M
MW615.80 g/mol
LogP5.38
Rot. Bonds26

About icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide

icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide (PubChem CID 164521067) has the molecular formula C28H62INO3Si and a molecular weight of 615.80 g/mol. Its IUPAC name is icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide.

Molecular Properties

Compound Nameicosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide
PubChem CID164521067
Molecular FormulaC28H62INO3Si
Molecular Weight615.80 g/mol
Exact Mass615.35
IUPAC Nameicosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide
SMILESCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[I-]
InChIInChI=1S/C28H62NO3Si.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(2,3)27-25-28-33(30-4,31-5)32-6;/h7-28H2,1-6H3;1H/q+1;/p-1
InChIKeyORCHBDAKXIDGCW-UHFFFAOYSA-M
XLogP5.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.80
LogP ≤ 55.38
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride
CID 141427162
dimethyl-pentadecyl-(6-trimethoxysilylhexyl)azanium chloride
CID 88730499
dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride
CID 88731013
butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
CID 177425552
icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide
CID 164521068
dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium
CID 161020572
trihexyl(3-trimethoxysilylpropyl)azanium bromide
CID 86088906
decyl-dimethyl-(trimethoxysilylmethyl)azanium
CID 71389761
ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride
CID 141071591
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
butyl-dodecyl-dimethylazanium iodide
CID 10524862
trimethoxy(pentacontyl)silane
CID 87930715

Frequently Asked Questions

What is the IUPAC name of icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide?
The IUPAC name of icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide (CID 164521067) is icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide.
What is the SMILES notation for icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide?
The canonical SMILES for icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide is CCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[I-].
What is the InChIKey of icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide?
The InChIKey is ORCHBDAKXIDGCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H62NO3Si.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(2,3)27-25-28-33(30-4,31-5)32-6;/h7-28H2,1-6H3;1H/q+1;/p-1.
What are the key properties of icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide?
icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide has a molecular weight of 615.80 g/mol, XLogP of 5.38, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide is sourced from PubChem (CID 164521067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).