tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane

C11H21IN2OSi — CID 164547420

IUPACtert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(I)cn1
InChIInChI=1S/C11H21IN2OSi/c1-11(2,3)16(4,5)15-7-6-14-9-10(12)8-13-14/h8-9H,6-7H2,1-5H3
InChIKeyVBOLICAABAIKEA-UHFFFAOYSA-N
MW352.29 g/mol
LogP3.51
Rot. Bonds4

About tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane

tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane (PubChem CID 164547420) has the molecular formula C11H21IN2OSi and a molecular weight of 352.29 g/mol. Its IUPAC name is tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane
PubChem CID164547420
Molecular FormulaC11H21IN2OSi
Molecular Weight352.29 g/mol
Exact Mass352.05
IUPAC Nametert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(I)cn1
InChIInChI=1S/C11H21IN2OSi/c1-11(2,3)16(4,5)15-7-6-14-9-10(12)8-13-14/h8-9H,6-7H2,1-5H3
InChIKeyVBOLICAABAIKEA-UHFFFAOYSA-N
XLogP3.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine
CID 90003245
2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane
CID 171788500
5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine
CID 65255899
4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanethioamide
CID 65248714
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine
CID 165385908
6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanenitrile
CID 106710266
1-(3-fluoropropyl)-4-iodopyrazole
CID 79020404
1-(2-ethylsulfanylethyl)-4-iodopyrazole
CID 115646959
4-iodo-1-pent-3-ynylpyrazole
CID 104743944
1-(4,4-dimethylpent-2-ynyl)-4-iodopyrazole
CID 130478803
4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide
CID 65252615
1-(fluoromethyl)-4-iodopyrazole
CID 170247528

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane (CID 164547420) is tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCn1cc(I)cn1.
What is the InChIKey of tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane?
The InChIKey is VBOLICAABAIKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IN2OSi/c1-11(2,3)16(4,5)15-7-6-14-9-10(12)8-13-14/h8-9H,6-7H2,1-5H3.
What are the key properties of tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane?
tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane has a molecular weight of 352.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane is sourced from PubChem (CID 164547420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).