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

C18H20Si — CID 59774101

IUPACtrimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane
SMILESCc1ccccc1-c1ccc(C#C[Si](C)(C)C)cc1
InChIInChI=1S/C18H20Si/c1-15-7-5-6-8-18(15)17-11-9-16(10-12-17)13-14-19(2,3)4/h5-12H,1-4H3
InChIKeyQPLZWJNFXNIXFB-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.89
Rot. Bonds1

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

trimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane (PubChem CID 59774101) has the molecular formula C18H20Si and a molecular weight of 264.44 g/mol. Its IUPAC name is trimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane
PubChem CID59774101
Molecular FormulaC18H20Si
Molecular Weight264.44 g/mol
Exact Mass264.13
IUPAC Nametrimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane
SMILESCc1ccccc1-c1ccc(C#C[Si](C)(C)C)cc1
InChIInChI=1S/C18H20Si/c1-15-7-5-6-8-18(15)17-11-9-16(10-12-17)13-14-19(2,3)4/h5-12H,1-4H3
InChIKeyQPLZWJNFXNIXFB-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.89
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-methylphenyl)phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane (CID 59774101) is trimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane is Cc1ccccc1-c1ccc(C#C[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane?
The InChIKey is QPLZWJNFXNIXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Si/c1-15-7-5-6-8-18(15)17-11-9-16(10-12-17)13-14-19(2,3)4/h5-12H,1-4H3.
What are the key properties of trimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane?
trimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane has a molecular weight of 264.44 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane is sourced from PubChem (CID 59774101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).