tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane

C14H27IN2O2Si — CID 151953755

IUPACtert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane
SMILESCOCCn1nc(CO[Si](C)(C)C(C)(C)C)c(I)c1C
InChIInChI=1S/C14H27IN2O2Si/c1-11-13(15)12(16-17(11)8-9-18-5)10-19-20(6,7)14(2,3)4/h8-10H2,1-7H3
InChIKeyTXEXPLJKFPEEAQ-UHFFFAOYSA-N
MW410.37 g/mol
LogP3.96
Rot. Bonds6

About tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane

tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane (PubChem CID 151953755) has the molecular formula C14H27IN2O2Si and a molecular weight of 410.37 g/mol. Its IUPAC name is tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane
PubChem CID151953755
Molecular FormulaC14H27IN2O2Si
Molecular Weight410.37 g/mol
Exact Mass410.09
IUPAC Nametert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane
SMILESCOCCn1nc(CO[Si](C)(C)C(C)(C)C)c(I)c1C
InChIInChI=1S/C14H27IN2O2Si/c1-11-13(15)12(16-17(11)8-9-18-5)10-19-20(6,7)14(2,3)4/h8-10H2,1-7H3
InChIKeyTXEXPLJKFPEEAQ-UHFFFAOYSA-N
XLogP3.96
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol
CID 170617962
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol
CID 172573565
4-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpyrazole
CID 104568877
4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole
CID 79785419
4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole
CID 112592599
4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol
CID 166473875
tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane
CID 156635681
tert-butyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-dimethylsilane
CID 91694118
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(hydroxymethyl)-4-iodopyrazol-3-yl]oxyacetonitrile
CID 172573659
tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane
CID 162681170
tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane
CID 139890396

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane (CID 151953755) is tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane is COCCn1nc(CO[Si](C)(C)C(C)(C)C)c(I)c1C.
What is the InChIKey of tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane?
The InChIKey is TXEXPLJKFPEEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IN2O2Si/c1-11-13(15)12(16-17(11)8-9-18-5)10-19-20(6,7)14(2,3)4/h8-10H2,1-7H3.
What are the key properties of tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane?
tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane has a molecular weight of 410.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 151953755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).