3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane

C13H24OSi — CID 158657073

IUPAC3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane
SMILESC#CC(C)(C)OC(C)(C)C#C.C[SiH](C)C
InChIInChI=1S/C10H14O.C3H10Si/c1-7-9(3,4)11-10(5,6)8-2;1-4(2)3/h1-2H,3-6H3;4H,1-3H3
InChIKeyICGUTCYMHHXXDL-UHFFFAOYSA-N
MW224.42 g/mol
LogP2.93
Rot. Bonds2

About 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane

3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane (PubChem CID 158657073) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane.

Molecular Properties

Compound Name3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane
PubChem CID158657073
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane
SMILESC#CC(C)(C)OC(C)(C)C#C.C[SiH](C)C
InChIInChI=1S/C10H14O.C3H10Si/c1-7-9(3,4)11-10(5,6)8-2;1-4(2)3/h1-2H,3-6H3;4H,1-3H3
InChIKeyICGUTCYMHHXXDL-UHFFFAOYSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 52.93
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-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane?
The IUPAC name of 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane (CID 158657073) is 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane.
What is the SMILES notation for 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane?
The canonical SMILES for 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane is C#CC(C)(C)OC(C)(C)C#C.C[SiH](C)C.
What is the InChIKey of 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane?
The InChIKey is ICGUTCYMHHXXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C3H10Si/c1-7-9(3,4)11-10(5,6)8-2;1-4(2)3/h1-2H,3-6H3;4H,1-3H3.
What are the key properties of 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane?
3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne;trimethylsilane is sourced from PubChem (CID 158657073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).