1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol

C13H22OSi — CID 122382305

IUPAC1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol
SMILESC[Si](C)(C)C#CC(O)C=C1CCCCC1
InChIInChI=1S/C13H22OSi/c1-15(2,3)10-9-13(14)11-12-7-5-4-6-8-12/h11,13-14H,4-8H2,1-3H3
InChIKeyUAPLLXBIPLRTPZ-UHFFFAOYSA-N
MW222.40 g/mol
LogP3.12
Rot. Bonds1

About 1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol

1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol (PubChem CID 122382305) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol.

Molecular Properties

Compound Name1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol
PubChem CID122382305
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol
SMILESC[Si](C)(C)C#CC(O)C=C1CCCCC1
InChIInChI=1S/C13H22OSi/c1-15(2,3)10-9-13(14)11-12-7-5-4-6-8-12/h11,13-14H,4-8H2,1-3H3
InChIKeyUAPLLXBIPLRTPZ-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-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 1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol?
The IUPAC name of 1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol (CID 122382305) is 1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol.
What is the SMILES notation for 1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol?
The canonical SMILES for 1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol is C[Si](C)(C)C#CC(O)C=C1CCCCC1.
What is the InChIKey of 1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol?
The InChIKey is UAPLLXBIPLRTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-15(2,3)10-9-13(14)11-12-7-5-4-6-8-12/h11,13-14H,4-8H2,1-3H3.
What are the key properties of 1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol?
1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol has a molecular weight of 222.40 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol is sourced from PubChem (CID 122382305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).