butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide

C12H30BrNO3Si — CID 177425552

IUPACbutyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
SMILESCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[Br-]
InChIInChI=1S/C12H30NO3Si.BrH/c1-7-8-10-13(2,3)11-9-12-17(14-4,15-5)16-6;/h7-12H2,1-6H3;1H/q+1;/p-1
InChIKeyIOHBDMSKUWHNMC-UHFFFAOYSA-M
MW344.37 g/mol
LogP-0.86
Rot. Bonds10

About butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide

butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide (PubChem CID 177425552) has the molecular formula C12H30BrNO3Si and a molecular weight of 344.37 g/mol. Its IUPAC name is butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide.

Molecular Properties

Compound Namebutyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
PubChem CID177425552
Molecular FormulaC12H30BrNO3Si
Molecular Weight344.37 g/mol
Exact Mass343.12
IUPAC Namebutyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
SMILESCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[Br-]
InChIInChI=1S/C12H30NO3Si.BrH/c1-7-8-10-13(2,3)11-9-12-17(14-4,15-5)16-6;/h7-12H2,1-6H3;1H/q+1;/p-1
InChIKeyIOHBDMSKUWHNMC-UHFFFAOYSA-M
XLogP-0.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide
CID 164521067
dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride
CID 141427162
dimethyl-pentadecyl-(6-trimethoxysilylhexyl)azanium chloride
CID 88730499
dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride
CID 88731013
tributyl(3-trimethoxysilylpropyl)azanium chloride
CID 15001028
dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium
CID 161020572
trihexyl(3-trimethoxysilylpropyl)azanium bromide
CID 86088906
decyl-dimethyl-(trimethoxysilylmethyl)azanium
CID 71389761
icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide
CID 164521068
ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride
CID 141071591
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
hexacosyl(trimethoxy)silane
CID 150262252

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide?
The IUPAC name of butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide (CID 177425552) is butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide.
What is the SMILES notation for butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide?
The canonical SMILES for butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide is CCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[Br-].
What is the InChIKey of butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide?
The InChIKey is IOHBDMSKUWHNMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H30NO3Si.BrH/c1-7-8-10-13(2,3)11-9-12-17(14-4,15-5)16-6;/h7-12H2,1-6H3;1H/q+1;/p-1.
What are the key properties of butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide?
butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide has a molecular weight of 344.37 g/mol, XLogP of -0.86, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide is sourced from PubChem (CID 177425552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).