dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide

C26H58BrNO3Si — CID 19102416

IUPACdimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide
SMILESCCCCCCCCCCCCCCCCCC(CCC[Si](OC)(OC)OC)[NH+](C)C.[Br-]
InChIInChI=1S/C26H57NO3Si.BrH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27(2)3)24-22-25-31(28-4,29-5)30-6;/h26H,7-25H2,1-6H3;1H
InChIKeyCOAAWTSSCJABMC-UHFFFAOYSA-N
MW540.74 g/mol
LogP3.42
Rot. Bonds24

About dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide

dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide (PubChem CID 19102416) has the molecular formula C26H58BrNO3Si and a molecular weight of 540.74 g/mol. Its IUPAC name is dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide.

Molecular Properties

Compound Namedimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide
PubChem CID19102416
Molecular FormulaC26H58BrNO3Si
Molecular Weight540.74 g/mol
Exact Mass539.34
IUPAC Namedimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide
SMILESCCCCCCCCCCCCCCCCCC(CCC[Si](OC)(OC)OC)[NH+](C)C.[Br-]
InChIInChI=1S/C26H57NO3Si.BrH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27(2)3)24-22-25-31(28-4,29-5)30-6;/h26H,7-25H2,1-6H3;1H
InChIKeyCOAAWTSSCJABMC-UHFFFAOYSA-N
XLogP3.42
TPSA32.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.74
LogP ≤ 53.42
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

trimethoxy(4-methylicosyl)silane
CID 88743380
4-chlorohenicosyl(trimethoxy)silane
CID 141333665
dodecyl(trimethoxy)silane;octane
CID 174570785
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride
CID 173031291
trimethoxy-[4-(2-methylpropyl)undecyl]silane
CID 173194024
N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride
CID 173427535
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
trimethoxy(undecyl)silane;hydrobromide
CID 172731268

Frequently Asked Questions

What is the IUPAC name of dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide?
The IUPAC name of dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide (CID 19102416) is dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide.
What is the SMILES notation for dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide?
The canonical SMILES for dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide is CCCCCCCCCCCCCCCCCC(CCC[Si](OC)(OC)OC)[NH+](C)C.[Br-].
What is the InChIKey of dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide?
The InChIKey is COAAWTSSCJABMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57NO3Si.BrH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27(2)3)24-22-25-31(28-4,29-5)30-6;/h26H,7-25H2,1-6H3;1H.
What are the key properties of dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide?
dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide has a molecular weight of 540.74 g/mol, XLogP of 3.42, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide is sourced from PubChem (CID 19102416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).