tert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane

C15H30N2OSi — CID 89458875

IUPACtert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane
SMILESCCc1cc(C)n(CCCO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C15H30N2OSi/c1-8-14-12-13(2)17(16-14)10-9-11-18-19(6,7)15(3,4)5/h12H,8-11H2,1-7H3
InChIKeySMKQEILXBMSRGJ-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.17
Rot. Bonds6

About tert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane

tert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane (PubChem CID 89458875) has the molecular formula C15H30N2OSi and a molecular weight of 282.50 g/mol. Its IUPAC name is tert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane
PubChem CID89458875
Molecular FormulaC15H30N2OSi
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Nametert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane
SMILESCCc1cc(C)n(CCCO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C15H30N2OSi/c1-8-14-12-13(2)17(16-14)10-9-11-18-19(6,7)15(3,4)5/h12H,8-11H2,1-7H3
InChIKeySMKQEILXBMSRGJ-UHFFFAOYSA-N
XLogP4.17
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane (CID 89458875) is tert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane is CCc1cc(C)n(CCCO[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of tert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane?
The InChIKey is SMKQEILXBMSRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OSi/c1-8-14-12-13(2)17(16-14)10-9-11-18-19(6,7)15(3,4)5/h12H,8-11H2,1-7H3.
What are the key properties of tert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane?
tert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane has a molecular weight of 282.50 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane is sourced from PubChem (CID 89458875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).