dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide

C20H46BrNO3Si — CID 175037692

IUPACdodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide
SMILESCCCCCCCCCCCC[N+](C)(C)C(CC)[Si](OC)(OC)OC.[Br-]
InChIInChI=1S/C20H46NO3Si.BrH/c1-8-10-11-12-13-14-15-16-17-18-19-21(3,4)20(9-2)25(22-5,23-6)24-7;/h20H,8-19H2,1-7H3;1H/q+1;/p-1
InChIKeyBABDYZKMZYMIOT-UHFFFAOYSA-M
MW456.58 g/mol
LogP2.18
Rot. Bonds17

About dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide

dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide (PubChem CID 175037692) has the molecular formula C20H46BrNO3Si and a molecular weight of 456.58 g/mol. Its IUPAC name is dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide.

Molecular Properties

Compound Namedodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide
PubChem CID175037692
Molecular FormulaC20H46BrNO3Si
Molecular Weight456.58 g/mol
Exact Mass455.24
IUPAC Namedodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide
SMILESCCCCCCCCCCCC[N+](C)(C)C(CC)[Si](OC)(OC)OC.[Br-]
InChIInChI=1S/C20H46NO3Si.BrH/c1-8-10-11-12-13-14-15-16-17-18-19-21(3,4)20(9-2)25(22-5,23-6)24-7;/h20H,8-19H2,1-7H3;1H/q+1;/p-1
InChIKeyBABDYZKMZYMIOT-UHFFFAOYSA-M
XLogP2.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 52.18
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-octadecyl-(1-trimethylsilylpropyl)azanium chloride
CID 175158999
trimethyl(1-trimethoxysilylpropyl)azanium hydroxide
CID 87514002
tripropyl(1-trimethoxysilylpropyl)azanium hydroxide
CID 87513848
1-aminopropyl-dimethyl-octadecylazanium bromide
CID 175462050
trihexyl(1-triethoxysilylpropyl)azanium
CID 57211677
dimethyl-octadecyl-octan-3-ylazanium
CID 22995160
dimethyl-octadecyl-trimethoxysilylazanium
CID 23159361
dimethyl-octyl-propan-2-ylazanium chloride
CID 162517722
trihexyl(3-trimethoxysilylpropyl)azanium bromide
CID 86088906
1-(diethylamino)propyl-dodecyl-dimethylazanium bromide
CID 19844984
decyl-dimethyl-(trimethoxysilylmethyl)azanium
CID 71389761
trimethyl(pentacontyl)azanium bromide
CID 118223247

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide?
The IUPAC name of dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide (CID 175037692) is dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide.
What is the SMILES notation for dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide?
The canonical SMILES for dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide is CCCCCCCCCCCC[N+](C)(C)C(CC)[Si](OC)(OC)OC.[Br-].
What is the InChIKey of dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide?
The InChIKey is BABDYZKMZYMIOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H46NO3Si.BrH/c1-8-10-11-12-13-14-15-16-17-18-19-21(3,4)20(9-2)25(22-5,23-6)24-7;/h20H,8-19H2,1-7H3;1H/q+1;/p-1.
What are the key properties of dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide?
dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide has a molecular weight of 456.58 g/mol, XLogP of 2.18, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide is sourced from PubChem (CID 175037692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).