tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane

C16H32OSi — CID 19042215

IUPACtert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane
SMILESC#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CCCC
InChIInChI=1S/C16H32OSi/c1-10-12-13-16(6,7)14(11-2)17-18(8,9)15(3,4)5/h2,14H,10,12-13H2,1,3-9H3
InChIKeyHLVIVLQEPITJNH-UHFFFAOYSA-N
MW268.52 g/mol
LogP5.23
Rot. Bonds6

About tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane

tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane (PubChem CID 19042215) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane
PubChem CID19042215
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane
SMILESC#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CCCC
InChIInChI=1S/C16H32OSi/c1-10-12-13-16(6,7)14(11-2)17-18(8,9)15(3,4)5/h2,14H,10,12-13H2,1,3-9H3
InChIKeyHLVIVLQEPITJNH-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.23
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-butyl-(4,4-dimethyl-1-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10567903
Tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10829718
tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane
CID 134860931
Tert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane
CID 135078902
{[1-(1-Butylcyclobutyl)prop-2-yn-1-yl]oxy}(trimethyl)silane
CID 12786176
tert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane
CID 14213448
tert-butyl-dimethyl-[(3S,5S)-5-methylnon-1-yn-3-yl]oxysilane
CID 14844033
tert-butyl-dimethyl-[(3S,5R)-5-methylnon-1-yn-3-yl]oxysilane
CID 15280327
tert-Butyldimethyl-[1-(1-propylcyclobutyl)but-3-ynyloxy]silane
CID 15475299
Tert-butyl-(6-ethyloct-1-yn-3-yloxy)-dimethylsilane
CID 20259595
5,5-Dimethylnon-1-yn-4-yloxy(trimethyl)silane
CID 20288770
5,5-Dimethyloct-1-yn-4-yloxy(trimethyl)silane
CID 20288807

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane (CID 19042215) is tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane is C#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CCCC.
What is the InChIKey of tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane?
The InChIKey is HLVIVLQEPITJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OSi/c1-10-12-13-16(6,7)14(11-2)17-18(8,9)15(3,4)5/h2,14H,10,12-13H2,1,3-9H3.
What are the key properties of tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane?
tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane has a molecular weight of 268.52 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane is sourced from PubChem (CID 19042215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).