(3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide

C10H21BrN2O3Si — CID 175325768

IUPAC(3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide
SMILESCCCC[n+]1ccn([Si](OC)(OC)OC)c1.[Br-]
InChIInChI=1S/C10H21N2O3Si.BrH/c1-5-6-7-11-8-9-12(10-11)16(13-2,14-3)15-4;/h8-10H,5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyHCJRQZQYHGDEJC-UHFFFAOYSA-M
MW325.28 g/mol
LogP-2.20
Rot. Bonds7

About (3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide

(3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide (PubChem CID 175325768) has the molecular formula C10H21BrN2O3Si and a molecular weight of 325.28 g/mol. Its IUPAC name is (3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide.

Molecular Properties

Compound Name(3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide
PubChem CID175325768
Molecular FormulaC10H21BrN2O3Si
Molecular Weight325.28 g/mol
Exact Mass324.05
IUPAC Name(3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide
SMILESCCCC[n+]1ccn([Si](OC)(OC)OC)c1.[Br-]
InChIInChI=1S/C10H21N2O3Si.BrH/c1-5-6-7-11-8-9-12(10-11)16(13-2,14-3)15-4;/h8-10H,5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyHCJRQZQYHGDEJC-UHFFFAOYSA-M
XLogP-2.20
TPSA36.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 5-2.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-ethylimidazol-1-ium
CID 10313448
1-butyl-3-[2-[2-[2-(3-butylimidazol-3-ium-1-yl)ethoxy]ethoxy]ethyl]imidazol-1-ium
CID 91820734
bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide
CID 139108545
1-dodecyl-3-[2-[2-(3-dodecylimidazol-3-ium-1-yl)ethoxy]ethyl]imidazol-1-ium
CID 102407090
1,3-di(icosyl)imidazol-1-ium bromide
CID 162511816
1,3-dioctylimidazol-1-ium bromide
CID 141246153
1-hexadecyl-3-tetradecylimidazol-1-ium bromide
CID 166517209
1,3-dihexylimidazol-1-ium bromide
CID 13045373
1-butyl-3-octylimidazol-3-ium bromide
CID 138617343
1-butyl-3-methylsulfonylimidazol-1-ium chloride
CID 71093698
1-methoxy-3-propylimidazol-3-ium bromide
CID 174947138
2-(3-butylimidazol-3-ium-1-yl)pyridine
CID 12028834

Frequently Asked Questions

What is the IUPAC name of (3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide?
The IUPAC name of (3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide (CID 175325768) is (3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide.
What is the SMILES notation for (3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide?
The canonical SMILES for (3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide is CCCC[n+]1ccn([Si](OC)(OC)OC)c1.[Br-].
What is the InChIKey of (3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide?
The InChIKey is HCJRQZQYHGDEJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21N2O3Si.BrH/c1-5-6-7-11-8-9-12(10-11)16(13-2,14-3)15-4;/h8-10H,5-7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of (3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide?
(3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide has a molecular weight of 325.28 g/mol, XLogP of -2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide is sourced from PubChem (CID 175325768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).