tert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane

C28H34OSi2 — CID 15401586

IUPACtert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC(C#CC#C[Si](C)(C)C)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C28H34OSi2/c1-28(2,3)31(7,8)29-27(20-14-15-23-30(4,5)6)26-19-13-12-18-25(26)22-21-24-16-10-9-11-17-24/h9-13,16-19,27H,1-8H3
InChIKeyDBZXOGAICKOVMC-UHFFFAOYSA-N
MW442.75 g/mol
LogP7.03
Rot. Bonds3

About tert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane

tert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane (PubChem CID 15401586) has the molecular formula C28H34OSi2 and a molecular weight of 442.75 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane
PubChem CID15401586
Molecular FormulaC28H34OSi2
Molecular Weight442.75 g/mol
Exact Mass442.21
IUPAC Nametert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC(C#CC#C[Si](C)(C)C)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C28H34OSi2/c1-28(2,3)31(7,8)29-27(20-14-15-23-30(4,5)6)26-19-13-12-18-25(26)22-21-24-16-10-9-11-17-24/h9-13,16-19,27H,1-8H3
InChIKeyDBZXOGAICKOVMC-UHFFFAOYSA-N
XLogP7.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.75
LogP ≤ 57.03
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

1-[2-(2-phenylethynyl)phenyl]but-2-ynyl 2,2-dimethylpropanoate
CID 102467528
1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene
CID 121358913
3-[2-[1-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxy-6-oxocyclohexen-1-yl]prop-2-ynyl]phenyl]prop-2-ynal
CID 134923304
1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol
CID 135073993
1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol
CID 71566924
1-[3-methoxy-3-[2-(2-phenylethynyl)phenyl]prop-1-ynyl]-4-(trifluoromethyl)benzene
CID 121348435
1-methoxy-4-[2-[2-(1-methoxy-3-phenylprop-2-ynyl)phenyl]ethynyl]benzene
CID 121348422
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane
CID 15478527
1,4-bis[2-(2-propan-2-ylphenyl)ethynyl]benzene
CID 135021566
2-[3-methoxy-3-[2-(2-phenylethynyl)phenyl]prop-1-ynyl]naphthalene
CID 121355072
1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol
CID 10667277

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane (CID 15401586) is tert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane is CC(C)(C)[Si](C)(C)OC(C#CC#C[Si](C)(C)C)c1ccccc1C#Cc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane?
The InChIKey is DBZXOGAICKOVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34OSi2/c1-28(2,3)31(7,8)29-27(20-14-15-23-30(4,5)6)26-19-13-12-18-25(26)22-21-24-16-10-9-11-17-24/h9-13,16-19,27H,1-8H3.
What are the key properties of tert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane?
tert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane has a molecular weight of 442.75 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane is sourced from PubChem (CID 15401586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).