2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one

C13H20O2Si — CID 164668741

IUPAC2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one
SMILESCC(=O)C1(C#C[Si](C)(C)C)CCCCC1=O
InChIInChI=1S/C13H20O2Si/c1-11(14)13(9-10-16(2,3)4)8-6-5-7-12(13)15/h5-8H2,1-4H3
InChIKeyOXYYIIRVXDSINM-UHFFFAOYSA-N
MW236.39 g/mol
LogP2.59
Rot. Bonds1

About 2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one

2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one (PubChem CID 164668741) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is 2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one
PubChem CID164668741
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Name2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one
SMILESCC(=O)C1(C#C[Si](C)(C)C)CCCCC1=O
InChIInChI=1S/C13H20O2Si/c1-11(14)13(9-10-16(2,3)4)8-6-5-7-12(13)15/h5-8H2,1-4H3
InChIKeyOXYYIIRVXDSINM-UHFFFAOYSA-N
XLogP2.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-Cyclohexyl-3-trimethylsilylprop-2-yn-1-one
CID 11020104
(3S)-3-methyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one
CID 72192762
2-Acetyl-2-(2-propynyl)cyclohexanone
CID 10419747
(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 52921058
4-Tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
CID 75040801
4-Methyl-1-trimethylsilyldec-1-yn-3-one
CID 101512279
2-Methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione
CID 134897924
4-Tert-butyl-2-methyl-6-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
CID 135049648
8,8-Dimethyl-1-trimethylsilylnonane-3,5-dione
CID 139254513
(3S)-3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
CID 162401892
2-Iodo-3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexan-1-one
CID 85784682
4-Methyl-4-((trimethylsilyl)ethynyl)cyclohexanone
CID 57523556

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one?
The IUPAC name of 2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one (CID 164668741) is 2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one.
What is the SMILES notation for 2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one?
The canonical SMILES for 2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one is CC(=O)C1(C#C[Si](C)(C)C)CCCCC1=O.
What is the InChIKey of 2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one?
The InChIKey is OXYYIIRVXDSINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-11(14)13(9-10-16(2,3)4)8-6-5-7-12(13)15/h5-8H2,1-4H3.
What are the key properties of 2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one?
2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one has a molecular weight of 236.39 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one is sourced from PubChem (CID 164668741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).