1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one

C21H30O2Si — CID 15105840

IUPAC1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one
SMILESC#CCCC(=O)C(O[Si](C)(C)C)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H30O2Si/c1-5-6-17-20(22)21(23-24(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h1,7,9-10,13-14,19H,6,8,11-12,15-17H2,2-4H3
InChIKeyOYWFTQAMDSVGDV-UHFFFAOYSA-N
MW342.56 g/mol
LogP5.30
Rot. Bonds7

About 1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one

1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one (PubChem CID 15105840) has the molecular formula C21H30O2Si and a molecular weight of 342.56 g/mol. Its IUPAC name is 1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one
PubChem CID15105840
Molecular FormulaC21H30O2Si
Molecular Weight342.56 g/mol
Exact Mass342.20
IUPAC Name1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one
SMILESC#CCCC(=O)C(O[Si](C)(C)C)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H30O2Si/c1-5-6-17-20(22)21(23-24(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h1,7,9-10,13-14,19H,6,8,11-12,15-17H2,2-4H3
InChIKeyOYWFTQAMDSVGDV-UHFFFAOYSA-N
XLogP5.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one?
The IUPAC name of 1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one (CID 15105840) is 1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one.
What is the SMILES notation for 1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one?
The canonical SMILES for 1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one is C#CCCC(=O)C(O[Si](C)(C)C)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one?
The InChIKey is OYWFTQAMDSVGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2Si/c1-5-6-17-20(22)21(23-24(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h1,7,9-10,13-14,19H,6,8,11-12,15-17H2,2-4H3.
What are the key properties of 1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one?
1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one has a molecular weight of 342.56 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-phenyl-1-trimethylsilyloxyhex-5-yn-2-one is sourced from PubChem (CID 15105840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).