2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one

C17H22OSi — CID 169324593

IUPAC2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one
SMILESC[Si](C)(C)C#Cc1ccccc1C1CCCCC1=O
InChIInChI=1S/C17H22OSi/c1-19(2,3)13-12-14-8-4-5-9-15(14)16-10-6-7-11-17(16)18/h4-5,8-9,16H,6-7,10-11H2,1-3H3
InChIKeyRIPAXRPBVDROGW-UHFFFAOYSA-N
MW270.45 g/mol
LogP4.14
Rot. Bonds1

About 2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one

2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one (PubChem CID 169324593) has the molecular formula C17H22OSi and a molecular weight of 270.45 g/mol. Its IUPAC name is 2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one
PubChem CID169324593
Molecular FormulaC17H22OSi
Molecular Weight270.45 g/mol
Exact Mass270.14
IUPAC Name2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one
SMILESC[Si](C)(C)C#Cc1ccccc1C1CCCCC1=O
InChIInChI=1S/C17H22OSi/c1-19(2,3)13-12-14-8-4-5-9-15(14)16-10-6-7-11-17(16)18/h4-5,8-9,16H,6-7,10-11H2,1-3H3
InChIKeyRIPAXRPBVDROGW-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 54.14
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-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one?
The IUPAC name of 2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one (CID 169324593) is 2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for 2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one?
The canonical SMILES for 2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one is C[Si](C)(C)C#Cc1ccccc1C1CCCCC1=O.
What is the InChIKey of 2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one?
The InChIKey is RIPAXRPBVDROGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OSi/c1-19(2,3)13-12-14-8-4-5-9-15(14)16-10-6-7-11-17(16)18/h4-5,8-9,16H,6-7,10-11H2,1-3H3.
What are the key properties of 2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one?
2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one has a molecular weight of 270.45 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 169324593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).