trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane

C20H20Si — CID 66777028

IUPACtrimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
SMILESCc1ccc(C#Cc2ccc(C#C[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C20H20Si/c1-17-5-7-18(8-6-17)9-10-19-11-13-20(14-12-19)15-16-21(2,3)4/h5-8,11-14H,1-4H3
InChIKeyXRFIQLZREXXDCJ-UHFFFAOYSA-N
MW288.47 g/mol
LogP4.62
Rot. Bonds

About trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane

trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane (PubChem CID 66777028) has the molecular formula C20H20Si and a molecular weight of 288.47 g/mol. Its IUPAC name is trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
PubChem CID66777028
Molecular FormulaC20H20Si
Molecular Weight288.47 g/mol
Exact Mass288.13
IUPAC Nametrimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
SMILESCc1ccc(C#Cc2ccc(C#C[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C20H20Si/c1-17-5-7-18(8-6-17)9-10-19-11-13-20(14-12-19)15-16-21(2,3)4/h5-8,11-14H,1-4H3
InChIKeyXRFIQLZREXXDCJ-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 54.62
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 trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane (CID 66777028) is trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane is Cc1ccc(C#Cc2ccc(C#C[Si](C)(C)C)cc2)cc1.
What is the InChIKey of trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane?
The InChIKey is XRFIQLZREXXDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Si/c1-17-5-7-18(8-6-17)9-10-19-11-13-20(14-12-19)15-16-21(2,3)4/h5-8,11-14H,1-4H3.
What are the key properties of trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane?
trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane has a molecular weight of 288.47 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane is sourced from PubChem (CID 66777028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).