trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane

C19H26Si — CID 11594368

IUPACtrimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane
SMILESCCCCCC=C=Cc1ccccc1C#C[Si](C)(C)C
InChIInChI=1S/C19H26Si/c1-5-6-7-8-9-10-13-18-14-11-12-15-19(18)16-17-20(2,3)4/h9,11-15H,5-8H2,1-4H3
InChIKeyFQZCYGBUUUDBRE-UHFFFAOYSA-N
MW282.50 g/mol
LogP5.66
Rot. Bonds5

About trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane

trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane (PubChem CID 11594368) has the molecular formula C19H26Si and a molecular weight of 282.50 g/mol. Its IUPAC name is trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane
PubChem CID11594368
Molecular FormulaC19H26Si
Molecular Weight282.50 g/mol
Exact Mass282.18
IUPAC Nametrimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane
SMILESCCCCCC=C=Cc1ccccc1C#C[Si](C)(C)C
InChIInChI=1S/C19H26Si/c1-5-6-7-8-9-10-13-18-14-11-12-15-19(18)16-17-20(2,3)4/h9,11-15H,5-8H2,1-4H3
InChIKeyFQZCYGBUUUDBRE-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane (CID 11594368) is trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane is CCCCCC=C=Cc1ccccc1C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane?
The InChIKey is FQZCYGBUUUDBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Si/c1-5-6-7-8-9-10-13-18-14-11-12-15-19(18)16-17-20(2,3)4/h9,11-15H,5-8H2,1-4H3.
What are the key properties of trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane?
trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane has a molecular weight of 282.50 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane is sourced from PubChem (CID 11594368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).