tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane

C16H24OSi — CID 24898876

IUPACtert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane
SMILESC#CC(C)(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24OSi/c1-8-16(5,14-12-10-9-11-13-14)17-18(6,7)15(2,3)4/h1,9-13H,2-7H3
InChIKeySWMFQGSFXLQYMR-UHFFFAOYSA-N
MW260.45 g/mol
LogP4.56
Rot. Bonds3

About tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane

tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane (PubChem CID 24898876) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane
PubChem CID24898876
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Nametert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane
SMILESC#CC(C)(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24OSi/c1-8-16(5,14-12-10-9-11-13-14)17-18(6,7)15(2,3)4/h1,9-13H,2-7H3
InChIKeySWMFQGSFXLQYMR-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 54.56
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

[(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene
CID 124584766
2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde
CID 10806072
2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol
CID 97289363
dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane
CID 141450490
tert-butyl-[2-ethynyl-2-phenyl-4-tri(propan-2-yl)silylbut-3-ynoxy]-dimethylsilane
CID 46243481
(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol
CID 11119358
2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid
CID 57371434
(2,3-diphenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
CID 10068766
trimethyl(trityloxy)silane
CID 11067560
[(3S)-3-methylpent-1-yn-3-yl]benzene
CID 11708103
2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene
CID 122215800
tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane
CID 10831054

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane (CID 24898876) is tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane is C#CC(C)(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane?
The InChIKey is SWMFQGSFXLQYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OSi/c1-8-16(5,14-12-10-9-11-13-14)17-18(6,7)15(2,3)4/h1,9-13H,2-7H3.
What are the key properties of tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane?
tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane has a molecular weight of 260.45 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane is sourced from PubChem (CID 24898876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).