tert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane

C24H30Si2 — CID 134977086

IUPACtert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CC#CC#CC#CC#CC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H30Si2/c1-23(2,3)25(7,8)21-19-17-15-13-11-12-14-16-18-20-22-26(9,10)24(4,5)6/h1-10H3
InChIKeyKTAJULLMIXYZTR-UHFFFAOYSA-N
MW374.68 g/mol
LogP5.10
Rot. Bonds

About tert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane

tert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane (PubChem CID 134977086) has the molecular formula C24H30Si2 and a molecular weight of 374.68 g/mol. Its IUPAC name is tert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane
PubChem CID134977086
Molecular FormulaC24H30Si2
Molecular Weight374.68 g/mol
Exact Mass374.19
IUPAC Nametert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CC#CC#CC#CC#CC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H30Si2/c1-23(2,3)25(7,8)21-19-17-15-13-11-12-14-16-18-20-22-26(9,10)24(4,5)6/h1-10H3
InChIKeyKTAJULLMIXYZTR-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.68
LogP ≤ 55.10
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane (CID 134977086) is tert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane is CC(C)(C)[Si](C)(C)C#CC#CC#CC#CC#CC#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane?
The InChIKey is KTAJULLMIXYZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Si2/c1-23(2,3)25(7,8)21-19-17-15-13-11-12-14-16-18-20-22-26(9,10)24(4,5)6/h1-10H3.
What are the key properties of tert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane?
tert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane has a molecular weight of 374.68 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane is sourced from PubChem (CID 134977086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).