2-(1-adamantyl)ethynyl-trimethylsilane

C15H24Si — CID 12794392

IUPAC2-(1-adamantyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24Si/c1-16(2,3)5-4-15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,6-11H2,1-3H3
InChIKeyBMEUKJSGDJCAGV-UHFFFAOYSA-N
MW232.44 g/mol
LogP4.08
Rot. Bonds

About 2-(1-adamantyl)ethynyl-trimethylsilane

2-(1-adamantyl)ethynyl-trimethylsilane (PubChem CID 12794392) has the molecular formula C15H24Si and a molecular weight of 232.44 g/mol. Its IUPAC name is 2-(1-adamantyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(1-adamantyl)ethynyl-trimethylsilane
PubChem CID12794392
Molecular FormulaC15H24Si
Molecular Weight232.44 g/mol
Exact Mass232.16
IUPAC Name2-(1-adamantyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24Si/c1-16(2,3)5-4-15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,6-11H2,1-3H3
InChIKeyBMEUKJSGDJCAGV-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 54.08
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'}

Analyze 2-(1-adamantyl)ethynyl-trimethylsilane 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 2-(1-adamantyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(1-adamantyl)ethynyl-trimethylsilane (CID 12794392) is 2-(1-adamantyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(1-adamantyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(1-adamantyl)ethynyl-trimethylsilane is C[Si](C)(C)C#CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)ethynyl-trimethylsilane?
The InChIKey is BMEUKJSGDJCAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Si/c1-16(2,3)5-4-15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,6-11H2,1-3H3.
What are the key properties of 2-(1-adamantyl)ethynyl-trimethylsilane?
2-(1-adamantyl)ethynyl-trimethylsilane has a molecular weight of 232.44 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)ethynyl-trimethylsilane is sourced from PubChem (CID 12794392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).