tert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane

C16H34O3Si2 — CID 173401418

IUPACtert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane
SMILESCCOC#CC(C)(O[SiH](C)C(C)(C)C)O[SiH](C)C(C)(C)C
InChIInChI=1S/C16H34O3Si2/c1-11-17-13-12-16(8,18-20(9)14(2,3)4)19-21(10)15(5,6)7/h20-21H,11H2,1-10H3
InChIKeyJFLRVKGKBRXKSR-UHFFFAOYSA-N
MW330.62 g/mol
LogP4.04
Rot. Bonds5

About tert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane

tert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane (PubChem CID 173401418) has the molecular formula C16H34O3Si2 and a molecular weight of 330.62 g/mol. Its IUPAC name is tert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane
PubChem CID173401418
Molecular FormulaC16H34O3Si2
Molecular Weight330.62 g/mol
Exact Mass330.20
IUPAC Nametert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane
SMILESCCOC#CC(C)(O[SiH](C)C(C)(C)C)O[SiH](C)C(C)(C)C
InChIInChI=1S/C16H34O3Si2/c1-11-17-13-12-16(8,18-20(9)14(2,3)4)19-21(10)15(5,6)7/h20-21H,11H2,1-10H3
InChIKeyJFLRVKGKBRXKSR-UHFFFAOYSA-N
XLogP4.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.62
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane?
The IUPAC name of tert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane (CID 173401418) is tert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane.
What is the SMILES notation for tert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane?
The canonical SMILES for tert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane is CCOC#CC(C)(O[SiH](C)C(C)(C)C)O[SiH](C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane?
The InChIKey is JFLRVKGKBRXKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si2/c1-11-17-13-12-16(8,18-20(9)14(2,3)4)19-21(10)15(5,6)7/h20-21H,11H2,1-10H3.
What are the key properties of tert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane?
tert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane has a molecular weight of 330.62 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[tert-butyl(methyl)silyl]oxy-4-ethoxybut-3-yn-2-yl]oxy-methylsilane is sourced from PubChem (CID 173401418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).