tert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane

C13H25NO3SSi — CID 22406983

IUPACtert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane
SMILESCOCOCC(O[Si](C)(C)C(C)(C)C)c1nccs1
InChIInChI=1S/C13H25NO3SSi/c1-13(2,3)19(5,6)17-11(9-16-10-15-4)12-14-7-8-18-12/h7-8,11H,9-10H2,1-6H3
InChIKeyDCTAEBGEHKBINX-UHFFFAOYSA-N
MW303.50 g/mol
LogP3.83
Rot. Bonds7

About tert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane

tert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane (PubChem CID 22406983) has the molecular formula C13H25NO3SSi and a molecular weight of 303.50 g/mol. Its IUPAC name is tert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane
PubChem CID22406983
Molecular FormulaC13H25NO3SSi
Molecular Weight303.50 g/mol
Exact Mass303.13
IUPAC Nametert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane
SMILESCOCOCC(O[Si](C)(C)C(C)(C)C)c1nccs1
InChIInChI=1S/C13H25NO3SSi/c1-13(2,3)19(5,6)17-11(9-16-10-15-4)12-14-7-8-18-12/h7-8,11H,9-10H2,1-6H3
InChIKeyDCTAEBGEHKBINX-UHFFFAOYSA-N
XLogP3.83
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane (CID 22406983) is tert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane is COCOCC(O[Si](C)(C)C(C)(C)C)c1nccs1.
What is the InChIKey of tert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane?
The InChIKey is DCTAEBGEHKBINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3SSi/c1-13(2,3)19(5,6)17-11(9-16-10-15-4)12-14-7-8-18-12/h7-8,11H,9-10H2,1-6H3.
What are the key properties of tert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane?
tert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane has a molecular weight of 303.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(methoxymethoxy)-1-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane is sourced from PubChem (CID 22406983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).