2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one

C12H20OSi — CID 172552167

IUPAC2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one
SMILESCC1CCC(=O)C1(C)C#C[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-10-6-7-11(13)12(10,2)8-9-14(3,4)5/h10H,6-7H2,1-5H3
InChIKeyALHWBYNVBHDHMA-UHFFFAOYSA-N
MW208.38 g/mol
LogP2.87
Rot. Bonds

About 2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one

2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one (PubChem CID 172552167) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is 2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one.

Molecular Properties

Compound Name2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one
PubChem CID172552167
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one
SMILESCC1CCC(=O)C1(C)C#C[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-10-6-7-11(13)12(10,2)8-9-14(3,4)5/h10H,6-7H2,1-5H3
InChIKeyALHWBYNVBHDHMA-UHFFFAOYSA-N
XLogP2.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one?
The IUPAC name of 2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one (CID 172552167) is 2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one.
What is the SMILES notation for 2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one?
The canonical SMILES for 2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one is CC1CCC(=O)C1(C)C#C[Si](C)(C)C.
What is the InChIKey of 2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one?
The InChIKey is ALHWBYNVBHDHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-10-6-7-11(13)12(10,2)8-9-14(3,4)5/h10H,6-7H2,1-5H3.
What are the key properties of 2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one?
2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one has a molecular weight of 208.38 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one is sourced from PubChem (CID 172552167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).