(3-methoxy-3-methylbut-1-ynyl)-trimethylsilane

C9H18OSi — CID 14023696

IUPAC(3-methoxy-3-methylbut-1-ynyl)-trimethylsilane
SMILESCOC(C)(C)C#C[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-9(2,10-3)7-8-11(4,5)6/h1-6H3
InChIKeyVZXOYYZVAVTDPS-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.29
Rot. Bonds1

About (3-methoxy-3-methylbut-1-ynyl)-trimethylsilane

(3-methoxy-3-methylbut-1-ynyl)-trimethylsilane (PubChem CID 14023696) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is (3-methoxy-3-methylbut-1-ynyl)-trimethylsilane.

Molecular Properties

Compound Name(3-methoxy-3-methylbut-1-ynyl)-trimethylsilane
PubChem CID14023696
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name(3-methoxy-3-methylbut-1-ynyl)-trimethylsilane
SMILESCOC(C)(C)C#C[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-9(2,10-3)7-8-11(4,5)6/h1-6H3
InChIKeyVZXOYYZVAVTDPS-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbut-1-ynyl)-trimethylsilane?
The IUPAC name of (3-methoxy-3-methylbut-1-ynyl)-trimethylsilane (CID 14023696) is (3-methoxy-3-methylbut-1-ynyl)-trimethylsilane.
What is the SMILES notation for (3-methoxy-3-methylbut-1-ynyl)-trimethylsilane?
The canonical SMILES for (3-methoxy-3-methylbut-1-ynyl)-trimethylsilane is COC(C)(C)C#C[Si](C)(C)C.
What is the InChIKey of (3-methoxy-3-methylbut-1-ynyl)-trimethylsilane?
The InChIKey is VZXOYYZVAVTDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-9(2,10-3)7-8-11(4,5)6/h1-6H3.
What are the key properties of (3-methoxy-3-methylbut-1-ynyl)-trimethylsilane?
(3-methoxy-3-methylbut-1-ynyl)-trimethylsilane has a molecular weight of 170.33 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbut-1-ynyl)-trimethylsilane is sourced from PubChem (CID 14023696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).