tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane

C16H23IOSi — CID 53355261

IUPACtert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC#Cc1ccccc1I
InChIInChI=1S/C16H23IOSi/c1-16(2,3)19(4,5)18-13-9-8-11-14-10-6-7-12-15(14)17/h6-7,10,12H,9,13H2,1-5H3
InChIKeyVXIFWASCOCHLLR-UHFFFAOYSA-N
MW386.35 g/mol
LogP5.05
Rot. Bonds3

About tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane

tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane (PubChem CID 53355261) has the molecular formula C16H23IOSi and a molecular weight of 386.35 g/mol. Its IUPAC name is tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane
PubChem CID53355261
Molecular FormulaC16H23IOSi
Molecular Weight386.35 g/mol
Exact Mass386.06
IUPAC Nametert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC#Cc1ccccc1I
InChIInChI=1S/C16H23IOSi/c1-16(2,3)19(4,5)18-13-9-8-11-14-10-6-7-12-15(14)17/h6-7,10,12H,9,13H2,1-5H3
InChIKeyVXIFWASCOCHLLR-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.35
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[4-(4-nitrophenyl)but-3-ynoxy]silane
CID 134112604
4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane
CID 11705392
6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione
CID 135028614
CID 21344899
CID 21344899
tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane
CID 157387297
tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane
CID 46177199
(5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane
CID 15222237
tert-butyl-dimethyl-(6-trimethylsilylhexa-3,5-diynoxy)silane
CID 71658883
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
tris[4-[tert-butyl(dimethyl)silyl]oxybutyl]-(2-phenylethynyl)boranuide
CID 135048483
tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane
CID 134977248
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane (CID 53355261) is tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC#Cc1ccccc1I.
What is the InChIKey of tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane?
The InChIKey is VXIFWASCOCHLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IOSi/c1-16(2,3)19(4,5)18-13-9-8-11-14-10-6-7-12-15(14)17/h6-7,10,12H,9,13H2,1-5H3.
What are the key properties of tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane?
tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane has a molecular weight of 386.35 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 53355261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).