dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride

C23H52ClNO3Si — CID 88731013

IUPACdimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride
SMILESCCCCCCCCCCCCCC[N+](C)(C)CCCC[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C23H52NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2,3)22-19-20-23-28(25-4,26-5)27-6;/h7-23H2,1-6H3;1H/q+1;/p-1
InChIKeyMRJKHTQFKKVBIO-UHFFFAOYSA-M
MW454.21 g/mol
LogP3.43
Rot. Bonds21

About dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride

dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride (PubChem CID 88731013) has the molecular formula C23H52ClNO3Si and a molecular weight of 454.21 g/mol. Its IUPAC name is dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride.

Molecular Properties

Compound Namedimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride
PubChem CID88731013
Molecular FormulaC23H52ClNO3Si
Molecular Weight454.21 g/mol
Exact Mass453.34
IUPAC Namedimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride
SMILESCCCCCCCCCCCCCC[N+](C)(C)CCCC[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C23H52NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2,3)22-19-20-23-28(25-4,26-5)27-6;/h7-23H2,1-6H3;1H/q+1;/p-1
InChIKeyMRJKHTQFKKVBIO-UHFFFAOYSA-M
XLogP3.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.21
LogP ≤ 53.43
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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-pentadecyl-(6-trimethoxysilylhexyl)azanium chloride
CID 88730499
icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide
CID 164521067
dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride
CID 141427162
butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
CID 177425552
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl-dimethyl-(trimethoxysilylmethyl)azanium
CID 71389761
ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride
CID 141071591
dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium
CID 161020572

Frequently Asked Questions

What is the IUPAC name of dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride?
The IUPAC name of dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride (CID 88731013) is dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride.
What is the SMILES notation for dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride?
The canonical SMILES for dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride is CCCCCCCCCCCCCC[N+](C)(C)CCCC[Si](OC)(OC)OC.[Cl-].
What is the InChIKey of dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride?
The InChIKey is MRJKHTQFKKVBIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H52NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2,3)22-19-20-23-28(25-4,26-5)27-6;/h7-23H2,1-6H3;1H/q+1;/p-1.
What are the key properties of dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride?
dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride has a molecular weight of 454.21 g/mol, XLogP of 3.43, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride is sourced from PubChem (CID 88731013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).