triethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane

C26H34Si2 — CID 14965486

IUPACtriethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane
SMILESCC[Si](C#CC#Cc1ccc(C#CC#C[Si](CC)(CC)CC)cc1)(CC)CC
InChIInChI=1S/C26H34Si2/c1-7-27(8-2,9-3)23-15-13-17-25-19-21-26(22-20-25)18-14-16-24-28(10-4,11-5)12-6/h19-22H,7-12H2,1-6H3
InChIKeyUXDJCHPHGBQKTP-UHFFFAOYSA-N
MW402.73 g/mol
LogP6.49
Rot. Bonds6

About triethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane

triethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane (PubChem CID 14965486) has the molecular formula C26H34Si2 and a molecular weight of 402.73 g/mol. Its IUPAC name is triethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane.

Molecular Properties

Compound Nametriethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane
PubChem CID14965486
Molecular FormulaC26H34Si2
Molecular Weight402.73 g/mol
Exact Mass402.22
IUPAC Nametriethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane
SMILESCC[Si](C#CC#Cc1ccc(C#CC#C[Si](CC)(CC)CC)cc1)(CC)CC
InChIInChI=1S/C26H34Si2/c1-7-27(8-2,9-3)23-15-13-17-25-19-21-26(22-20-25)18-14-16-24-28(10-4,11-5)12-6/h19-22H,7-12H2,1-6H3
InChIKeyUXDJCHPHGBQKTP-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.73
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

triethyl(12-triethylsilyldodeca-1,3,5,7,9,11-hexaynyl)silane
CID 134885307
triethyl(20-triethylsilylicosa-1,3,5,7,9,11,13,15,17,19-decaynyl)silane
CID 134977085
triethyl(10-triethylsilyldeca-1,3,5,7,9-pentaynyl)silane
CID 134978035
2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol
CID 178189120
4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane
CID 10912597
2-(3,4-dibromophenyl)ethynyl-triethylsilane
CID 24756184
1-propyl-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene
CID 14573547
trimethyl-[10-[4-(trifluoromethyl)phenyl]deca-1,3,5,7,9-pentaynyl]silane
CID 102177171
4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane
CID 12032946
1-(4-ethylsulfanylbuta-1,3-diynyl)-4-iodobenzene
CID 132564143
4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile
CID 132599654
1-methyl-4-[6-(4-methylphenyl)hexa-1,3,5-triynyl]benzene
CID 58986470

Frequently Asked Questions

What is the IUPAC name of triethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane?
The IUPAC name of triethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane (CID 14965486) is triethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane.
What is the SMILES notation for triethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane?
The canonical SMILES for triethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane is CC[Si](C#CC#Cc1ccc(C#CC#C[Si](CC)(CC)CC)cc1)(CC)CC.
What is the InChIKey of triethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane?
The InChIKey is UXDJCHPHGBQKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Si2/c1-7-27(8-2,9-3)23-15-13-17-25-19-21-26(22-20-25)18-14-16-24-28(10-4,11-5)12-6/h19-22H,7-12H2,1-6H3.
What are the key properties of triethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane?
triethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane has a molecular weight of 402.73 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[4-[4-(4-triethylsilylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]silane is sourced from PubChem (CID 14965486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).