tert-butyl-chloro-dimethylsilane;1H-imidazole

C9H19ClN2Si — CID 2724131

IUPACtert-butyl-chloro-dimethylsilane;1H-imidazole
SMILESCC(C)(C)[Si](C)(C)Cl.c1c[nH]cn1
InChIInChI=1S/C6H15ClSi.C3H4N2/c1-6(2,3)8(4,5)7;1-2-5-3-4-1/h1-5H3;1-3H,(H,4,5)
InChIKeyIFLPAOFWVBWJPG-UHFFFAOYSA-N
MW218.80 g/mol
LogP3.64
Rot. Bonds

About tert-butyl-chloro-dimethylsilane;1H-imidazole

tert-butyl-chloro-dimethylsilane;1H-imidazole (PubChem CID 2724131) has the molecular formula C9H19ClN2Si and a molecular weight of 218.80 g/mol. Its IUPAC name is tert-butyl-chloro-dimethylsilane;1H-imidazole.

Molecular Properties

Compound Nametert-butyl-chloro-dimethylsilane;1H-imidazole
PubChem CID2724131
Molecular FormulaC9H19ClN2Si
Molecular Weight218.80 g/mol
Exact Mass218.10
IUPAC Nametert-butyl-chloro-dimethylsilane;1H-imidazole
SMILESCC(C)(C)[Si](C)(C)Cl.c1c[nH]cn1
InChIInChI=1S/C6H15ClSi.C3H4N2/c1-6(2,3)8(4,5)7;1-2-5-3-4-1/h1-5H3;1-3H,(H,4,5)
InChIKeyIFLPAOFWVBWJPG-UHFFFAOYSA-N
XLogP3.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-chloro-dimethylsilane;1H-imidazole?
The IUPAC name of tert-butyl-chloro-dimethylsilane;1H-imidazole (CID 2724131) is tert-butyl-chloro-dimethylsilane;1H-imidazole.
What is the SMILES notation for tert-butyl-chloro-dimethylsilane;1H-imidazole?
The canonical SMILES for tert-butyl-chloro-dimethylsilane;1H-imidazole is CC(C)(C)[Si](C)(C)Cl.c1c[nH]cn1.
What is the InChIKey of tert-butyl-chloro-dimethylsilane;1H-imidazole?
The InChIKey is IFLPAOFWVBWJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClSi.C3H4N2/c1-6(2,3)8(4,5)7;1-2-5-3-4-1/h1-5H3;1-3H,(H,4,5).
What are the key properties of tert-butyl-chloro-dimethylsilane;1H-imidazole?
tert-butyl-chloro-dimethylsilane;1H-imidazole has a molecular weight of 218.80 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-dimethylsilane;1H-imidazole is sourced from PubChem (CID 2724131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).