2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one

C20H40O3Si — CID 154712306

IUPAC2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one
SMILESCC[Si](CC)(CC)CC(C)(OOC(C)(C)C)C(=O)C1CCCCC1
InChIInChI=1S/C20H40O3Si/c1-8-24(9-2,10-3)16-20(7,23-22-19(4,5)6)18(21)17-14-12-11-13-15-17/h17H,8-16H2,1-7H3
InChIKeyYVKZAXFNISKOHP-UHFFFAOYSA-N
MW356.62 g/mol
LogP6.15
Rot. Bonds9

About 2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one

2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one (PubChem CID 154712306) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is 2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one.

Molecular Properties

Compound Name2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one
PubChem CID154712306
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Name2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one
SMILESCC[Si](CC)(CC)CC(C)(OOC(C)(C)C)C(=O)C1CCCCC1
InChIInChI=1S/C20H40O3Si/c1-8-24(9-2,10-3)16-20(7,23-22-19(4,5)6)18(21)17-14-12-11-13-15-17/h17H,8-16H2,1-7H3
InChIKeyYVKZAXFNISKOHP-UHFFFAOYSA-N
XLogP6.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 13228831
(1R)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 71421165
(3S)-3-[(2R,3R)-3,7-dimethyl-7-triethylsilyloxyoctan-2-yl]-3-methylcyclohexan-1-one
CID 10738709
4-[Tert-butyl(dimethyl)silyl]peroxy-4-methylicosan-2-one
CID 73029207
3-[1-[Tert-butyl(dimethyl)silyl]oxy-1-methyl-ethyl]cyclohexanone
CID 122214308
4-Cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one
CID 134838817
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one
CID 135050235
CID 164684546
CID 164684546
2-[Tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone
CID 10759483
2-[Tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone
CID 11357321
2-[Butyl(dimethyl)silyl]oxy-2-cyclohexylbutanal
CID 88330633
(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one
CID 140706184

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one?
The IUPAC name of 2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one (CID 154712306) is 2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one.
What is the SMILES notation for 2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one?
The canonical SMILES for 2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one is CC[Si](CC)(CC)CC(C)(OOC(C)(C)C)C(=O)C1CCCCC1.
What is the InChIKey of 2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one?
The InChIKey is YVKZAXFNISKOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-8-24(9-2,10-3)16-20(7,23-22-19(4,5)6)18(21)17-14-12-11-13-15-17/h17H,8-16H2,1-7H3.
What are the key properties of 2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one?
2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one has a molecular weight of 356.62 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one is sourced from PubChem (CID 154712306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).