1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol

C12H20OSi — CID 172843730

IUPAC1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol
SMILESC[Si](C)(C)C#CC1(O)C=CCCCC1
InChIInChI=1S/C12H20OSi/c1-14(2,3)11-10-12(13)8-6-4-5-7-9-12/h6,8,13H,4-5,7,9H2,1-3H3
InChIKeyXDFITXKFEBMMHL-UHFFFAOYSA-N
MW208.38 g/mol
LogP2.73
Rot. Bonds

About 1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol

1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol (PubChem CID 172843730) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is 1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol.

Molecular Properties

Compound Name1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol
PubChem CID172843730
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol
SMILESC[Si](C)(C)C#CC1(O)C=CCCCC1
InChIInChI=1S/C12H20OSi/c1-14(2,3)11-10-12(13)8-6-4-5-7-9-12/h6,8,13H,4-5,7,9H2,1-3H3
InChIKeyXDFITXKFEBMMHL-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 52.73
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-(2-trimethylsilylethynyl)cyclohept-2-en-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 1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol?
The IUPAC name of 1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol (CID 172843730) is 1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol.
What is the SMILES notation for 1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol?
The canonical SMILES for 1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol is C[Si](C)(C)C#CC1(O)C=CCCCC1.
What is the InChIKey of 1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol?
The InChIKey is XDFITXKFEBMMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-14(2,3)11-10-12(13)8-6-4-5-7-9-12/h6,8,13H,4-5,7,9H2,1-3H3.
What are the key properties of 1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol?
1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol has a molecular weight of 208.38 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethynyl)cyclohept-2-en-1-ol is sourced from PubChem (CID 172843730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).