tert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane

C24H36O2Si — CID 100968648

IUPACtert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane
SMILESCC(C)(C)C1=C(C#Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)OCC1(C)C
InChIInChI=1S/C24H36O2Si/c1-22(2,3)21-20(25-17-24(21,7)8)15-14-18-12-11-13-19(16-18)26-27(9,10)23(4,5)6/h11-13,16H,17H2,1-10H3
InChIKeyKKJSNGAWVBLGEM-UHFFFAOYSA-N
MW384.64 g/mol
LogP6.78
Rot. Bonds2

About tert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane

tert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane (PubChem CID 100968648) has the molecular formula C24H36O2Si and a molecular weight of 384.64 g/mol. Its IUPAC name is tert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane
PubChem CID100968648
Molecular FormulaC24H36O2Si
Molecular Weight384.64 g/mol
Exact Mass384.25
IUPAC Nametert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane
SMILESCC(C)(C)C1=C(C#Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)OCC1(C)C
InChIInChI=1S/C24H36O2Si/c1-22(2,3)21-20(25-17-24(21,7)8)15-14-18-12-11-13-19(16-18)26-27(9,10)23(4,5)6/h11-13,16H,17H2,1-10H3
InChIKeyKKJSNGAWVBLGEM-UHFFFAOYSA-N
XLogP6.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.64
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane
CID 54489705
4-tert-butyl-3,3-dimethyl-5-(2-phenylethynyl)-2H-furan
CID 100968646
tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane
CID 101415329
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
tert-butyl-[3-[2-(5-tert-butyl-4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)ethynyl]phenoxy]-dimethylsilane
CID 100968651
tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane
CID 15547435
tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane
CID 140678448
tert-butyl-(3-iodophenoxy)-dimethylsilane
CID 2757280
tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-3-ethoxy-1-benzothiophen-5-yl]oxy]-dimethylsilane
CID 15547437
tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane
CID 101439155
tert-butyl-[4-[2-(3,4-dimethylphenyl)ethynyl]phenoxy]-dimethylsilane
CID 102148278
tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane
CID 11358363

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane (CID 100968648) is tert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane is CC(C)(C)C1=C(C#Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)OCC1(C)C.
What is the InChIKey of tert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane?
The InChIKey is KKJSNGAWVBLGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2Si/c1-22(2,3)21-20(25-17-24(21,7)8)15-14-18-12-11-13-19(16-18)26-27(9,10)23(4,5)6/h11-13,16H,17H2,1-10H3.
What are the key properties of tert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane?
tert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane has a molecular weight of 384.64 g/mol, XLogP of 6.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 100968648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).