4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol

C12H22OSi2 — CID 19381119

IUPAC4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol
SMILESC[Si](C)(C)C#CC(C#C[Si](C)(C)C)CO
InChIInChI=1S/C12H22OSi2/c1-14(2,3)9-7-12(11-13)8-10-15(4,5)6/h12-13H,11H2,1-6H3
InChIKeyDPWAHESNYNGKBJ-UHFFFAOYSA-N
MW238.48 g/mol
LogP2.36
Rot. Bonds1

About 4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol

4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol (PubChem CID 19381119) has the molecular formula C12H22OSi2 and a molecular weight of 238.48 g/mol. Its IUPAC name is 4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol.

Molecular Properties

Compound Name4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol
PubChem CID19381119
Molecular FormulaC12H22OSi2
Molecular Weight238.48 g/mol
Exact Mass238.12
IUPAC Name4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol
SMILESC[Si](C)(C)C#CC(C#C[Si](C)(C)C)CO
InChIInChI=1S/C12H22OSi2/c1-14(2,3)9-7-12(11-13)8-10-15(4,5)6/h12-13H,11H2,1-6H3
InChIKeyDPWAHESNYNGKBJ-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol 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 4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol?
The IUPAC name of 4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol (CID 19381119) is 4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol.
What is the SMILES notation for 4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol?
The canonical SMILES for 4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol is C[Si](C)(C)C#CC(C#C[Si](C)(C)C)CO.
What is the InChIKey of 4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol?
The InChIKey is DPWAHESNYNGKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi2/c1-14(2,3)9-7-12(11-13)8-10-15(4,5)6/h12-13H,11H2,1-6H3.
What are the key properties of 4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol?
4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol has a molecular weight of 238.48 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyl-2-(2-trimethylsilylethynyl)but-3-yn-1-ol is sourced from PubChem (CID 19381119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).