tert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane

C12H24N2OSi — CID 58827181

IUPACtert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane
SMILESCn1cnc(CCO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C12H24N2OSi/c1-12(2,3)16(5,6)15-8-7-11-9-14(4)10-13-11/h9-10H,7-8H2,1-6H3
InChIKeySQWOGDGBVHEKEG-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.98
Rot. Bonds4

About tert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane

tert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane (PubChem CID 58827181) has the molecular formula C12H24N2OSi and a molecular weight of 240.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane
PubChem CID58827181
Molecular FormulaC12H24N2OSi
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Nametert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane
SMILESCn1cnc(CCO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C12H24N2OSi/c1-12(2,3)16(5,6)15-8-7-11-9-14(4)10-13-11/h9-10H,7-8H2,1-6H3
InChIKeySQWOGDGBVHEKEG-UHFFFAOYSA-N
XLogP2.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane (CID 58827181) is tert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane is Cn1cnc(CCO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane?
The InChIKey is SQWOGDGBVHEKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OSi/c1-12(2,3)16(5,6)15-8-7-11-9-14(4)10-13-11/h9-10H,7-8H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane?
tert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane has a molecular weight of 240.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane is sourced from PubChem (CID 58827181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).