tert-butyl-(2-methoxyethynyl)-dimethylsilane

C9H18OSi — CID 11019306

IUPACtert-butyl-(2-methoxyethynyl)-dimethylsilane
SMILESCOC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H18OSi/c1-9(2,3)11(5,6)8-7-10-4/h1-6H3
InChIKeyUNZJQQHXVAVWHY-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.64
Rot. Bonds

About tert-butyl-(2-methoxyethynyl)-dimethylsilane

tert-butyl-(2-methoxyethynyl)-dimethylsilane (PubChem CID 11019306) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is tert-butyl-(2-methoxyethynyl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-methoxyethynyl)-dimethylsilane
PubChem CID11019306
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Nametert-butyl-(2-methoxyethynyl)-dimethylsilane
SMILESCOC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H18OSi/c1-9(2,3)11(5,6)8-7-10-4/h1-6H3
InChIKeyUNZJQQHXVAVWHY-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(tert-Butoxyethynyl)(trimethyl)silane
CID 14867893
(tert-Butoxyethynyl)(tert-butyl)dimethylsilane
CID 71340245
3-Methoxyprop-1-ynyl-tri(propan-2-yl)silane
CID 11543143
Ethyl-(3-methoxy-propyl)-dimethyl-silane
CID 58989008
(3-Methoxy-3-methylbut-1-ynyl)-trimethylsilane
CID 14023696
Trimethyl silyl butoxyacetylene
CID 12548259
4-Methoxybut-2-ynyl(trimethyl)silane
CID 13214508
(Ethoxyethynyl)(triethyl)silane
CID 13256020
2-Ethoxyethynyl-tri(propan-2-yl)silane
CID 14981117
2-[(2-Methylpropan-2-yl)oxy]ethynyl-tri(propan-2-yl)silane
CID 71770514
1-Methoxy-2-methyl-3-trimethylsilanyl-propane
CID 129656166
Tert-butyl-bis(methoxymethyl)-propan-2-ylsilane
CID 22020702

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-methoxyethynyl)-dimethylsilane?
The IUPAC name of tert-butyl-(2-methoxyethynyl)-dimethylsilane (CID 11019306) is tert-butyl-(2-methoxyethynyl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-methoxyethynyl)-dimethylsilane?
The canonical SMILES for tert-butyl-(2-methoxyethynyl)-dimethylsilane is COC#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(2-methoxyethynyl)-dimethylsilane?
The InChIKey is UNZJQQHXVAVWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-9(2,3)11(5,6)8-7-10-4/h1-6H3.
What are the key properties of tert-butyl-(2-methoxyethynyl)-dimethylsilane?
tert-butyl-(2-methoxyethynyl)-dimethylsilane has a molecular weight of 170.33 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-methoxyethynyl)-dimethylsilane is sourced from PubChem (CID 11019306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).