1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one

C22H39NO2Si2 — CID 58122420

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC(c1ccc([Si](C)(C)C)cc1)N1CCCCC1=O
InChIInChI=1S/C22H39NO2Si2/c1-22(2,3)27(7,8)25-17-20(23-16-10-9-11-21(23)24)18-12-14-19(15-13-18)26(4,5)6/h12-15,20H,9-11,16-17H2,1-8H3
InChIKeyFLFWXOJVNSQLCD-UHFFFAOYSA-N
MW405.73 g/mol
LogP5.31
Rot. Bonds6

About 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one

1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one (PubChem CID 58122420) has the molecular formula C22H39NO2Si2 and a molecular weight of 405.73 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one
PubChem CID58122420
Molecular FormulaC22H39NO2Si2
Molecular Weight405.73 g/mol
Exact Mass405.25
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC(c1ccc([Si](C)(C)C)cc1)N1CCCCC1=O
InChIInChI=1S/C22H39NO2Si2/c1-22(2,3)27(7,8)25-17-20(23-16-10-9-11-21(23)24)18-12-14-19(15-13-18)26(4,5)6/h12-15,20H,9-11,16-17H2,1-8H3
InChIKeyFLFWXOJVNSQLCD-UHFFFAOYSA-N
XLogP5.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.73
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one (CID 58122420) is 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one is CC(C)(C)[Si](C)(C)OCC(c1ccc([Si](C)(C)C)cc1)N1CCCCC1=O.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one?
The InChIKey is FLFWXOJVNSQLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO2Si2/c1-22(2,3)27(7,8)25-17-20(23-16-10-9-11-21(23)24)18-12-14-19(15-13-18)26(4,5)6/h12-15,20H,9-11,16-17H2,1-8H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one?
1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one has a molecular weight of 405.73 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one is sourced from PubChem (CID 58122420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).