1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane

C13H26N2OSi — CID 67824464

IUPAC1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane
SMILESCCCCc1nc(OC(C)[Si](C)(C)C)c(C)[nH]1
InChIInChI=1S/C13H26N2OSi/c1-7-8-9-12-14-10(2)13(15-12)16-11(3)17(4,5)6/h11H,7-9H2,1-6H3,(H,14,15)
InChIKeyPMRNGGHVLNAXPN-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.71
Rot. Bonds6

About 1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane

1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane (PubChem CID 67824464) has the molecular formula C13H26N2OSi and a molecular weight of 254.45 g/mol. Its IUPAC name is 1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane
PubChem CID67824464
Molecular FormulaC13H26N2OSi
Molecular Weight254.45 g/mol
Exact Mass254.18
IUPAC Name1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane
SMILESCCCCc1nc(OC(C)[Si](C)(C)C)c(C)[nH]1
InChIInChI=1S/C13H26N2OSi/c1-7-8-9-12-14-10(2)13(15-12)16-11(3)17(4,5)6/h11H,7-9H2,1-6H3,(H,14,15)
InChIKeyPMRNGGHVLNAXPN-UHFFFAOYSA-N
XLogP3.71
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane?
The IUPAC name of 1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane (CID 67824464) is 1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane.
What is the SMILES notation for 1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane?
The canonical SMILES for 1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane is CCCCc1nc(OC(C)[Si](C)(C)C)c(C)[nH]1.
What is the InChIKey of 1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane?
The InChIKey is PMRNGGHVLNAXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OSi/c1-7-8-9-12-14-10(2)13(15-12)16-11(3)17(4,5)6/h11H,7-9H2,1-6H3,(H,14,15).
What are the key properties of 1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane?
1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane has a molecular weight of 254.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-butyl-5-methyl-1H-imidazol-4-yl)oxy]ethyl-trimethylsilane is sourced from PubChem (CID 67824464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).