2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane

C21H30Si3 — CID 10761444

IUPAC2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc(C#C[Si](C)(C)C)cc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C21H30Si3/c1-22(2,3)13-10-19-16-20(11-14-23(4,5)6)18-21(17-19)12-15-24(7,8)9/h16-18H,1-9H3
InChIKeyVVTLQYQLVFNQBM-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.37
Rot. Bonds

About 2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane

2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane (PubChem CID 10761444) has the molecular formula C21H30Si3 and a molecular weight of 366.73 g/mol. Its IUPAC name is 2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
PubChem CID10761444
Molecular FormulaC21H30Si3
Molecular Weight366.73 g/mol
Exact Mass366.17
IUPAC Name2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc(C#C[Si](C)(C)C)cc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C21H30Si3/c1-22(2,3)13-10-19-16-20(11-14-23(4,5)6)18-21(17-19)12-15-24(7,8)9/h16-18H,1-9H3
InChIKeyVVTLQYQLVFNQBM-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 55.37
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 2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane (CID 10761444) is 2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cc(C#C[Si](C)(C)C)cc(C#C[Si](C)(C)C)c1.
What is the InChIKey of 2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The InChIKey is VVTLQYQLVFNQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30Si3/c1-22(2,3)13-10-19-16-20(11-14-23(4,5)6)18-21(17-19)12-15-24(7,8)9/h16-18H,1-9H3.
What are the key properties of 2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane has a molecular weight of 366.73 g/mol, XLogP of 5.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 10761444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).