4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane

C14H30N2O3Si — CID 90750754

IUPAC4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane
SMILESCO[Si](OC)(OC)C(C)CCN1C=CN(C(C)(C)C)C1
InChIInChI=1S/C14H30N2O3Si/c1-13(20(17-5,18-6)19-7)8-9-15-10-11-16(12-15)14(2,3)4/h10-11,13H,8-9,12H2,1-7H3
InChIKeyCTDFXAHLKBYOBE-UHFFFAOYSA-N
MW302.49 g/mol
LogP2.49
Rot. Bonds7

About 4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane

4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane (PubChem CID 90750754) has the molecular formula C14H30N2O3Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane.

Molecular Properties

Compound Name4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane
PubChem CID90750754
Molecular FormulaC14H30N2O3Si
Molecular Weight302.49 g/mol
Exact Mass302.20
IUPAC Name4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane
SMILESCO[Si](OC)(OC)C(C)CCN1C=CN(C(C)(C)C)C1
InChIInChI=1S/C14H30N2O3Si/c1-13(20(17-5,18-6)19-7)8-9-15-10-11-16(12-15)14(2,3)4/h10-11,13H,8-9,12H2,1-7H3
InChIKeyCTDFXAHLKBYOBE-UHFFFAOYSA-N
XLogP2.49
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane?
The IUPAC name of 4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane (CID 90750754) is 4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane.
What is the SMILES notation for 4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane?
The canonical SMILES for 4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane is CO[Si](OC)(OC)C(C)CCN1C=CN(C(C)(C)C)C1.
What is the InChIKey of 4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane?
The InChIKey is CTDFXAHLKBYOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3Si/c1-13(20(17-5,18-6)19-7)8-9-15-10-11-16(12-15)14(2,3)4/h10-11,13H,8-9,12H2,1-7H3.
What are the key properties of 4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane?
4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane has a molecular weight of 302.49 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane is sourced from PubChem (CID 90750754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).