tert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane

C12H24O2Si — CID 13461138

IUPACtert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane
SMILESCCOC#CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-8-13-10-9-11(2)14-15(6,7)12(3,4)5/h11H,8H2,1-7H3
InChIKeyAUGZQGAPBKMUEP-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.39
Rot. Bonds3

About tert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane

tert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane (PubChem CID 13461138) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane
PubChem CID13461138
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane
SMILESCCOC#CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-8-13-10-9-11(2)14-15(6,7)12(3,4)5/h11H,8H2,1-7H3
InChIKeyAUGZQGAPBKMUEP-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane (CID 13461138) is tert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane is CCOC#CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane?
The InChIKey is AUGZQGAPBKMUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-8-13-10-9-11(2)14-15(6,7)12(3,4)5/h11H,8H2,1-7H3.
What are the key properties of tert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane?
tert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane has a molecular weight of 228.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane is sourced from PubChem (CID 13461138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).