3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one

C30H45NO2Si — CID 178089202

IUPAC3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one
SMILESCN1CCC(=O)C(CCCCCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C30H45NO2Si/c1-30(2,3)34(27-18-12-9-13-19-27,28-20-14-10-15-21-28)33-24-16-8-6-5-7-11-17-26-25-31(4)23-22-29(26)32/h9-10,12-15,18-21,26H,5-8,11,16-17,22-25H2,1-4H3
InChIKeyYAFNQTRNADGEFZ-UHFFFAOYSA-N
MW479.78 g/mol
LogP5.81
Rot. Bonds12

About 3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one

3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one (PubChem CID 178089202) has the molecular formula C30H45NO2Si and a molecular weight of 479.78 g/mol. Its IUPAC name is 3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one.

Molecular Properties

Compound Name3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one
PubChem CID178089202
Molecular FormulaC30H45NO2Si
Molecular Weight479.78 g/mol
Exact Mass479.32
IUPAC Name3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one
SMILESCN1CCC(=O)C(CCCCCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C30H45NO2Si/c1-30(2,3)34(27-18-12-9-13-19-27,28-20-14-10-15-21-28)33-24-16-8-6-5-7-11-17-26-25-31(4)23-22-29(26)32/h9-10,12-15,18-21,26H,5-8,11,16-17,22-25H2,1-4H3
InChIKeyYAFNQTRNADGEFZ-UHFFFAOYSA-N
XLogP5.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.78
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one
CID 139909546
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
1,3-dibromo-5-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]thieno[3,4-c]pyrrole-4,6-dione
CID 140789723
(4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one
CID 162511254
(3aS,4S,6aR)-4-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11167187
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one
CID 11091100
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009

Frequently Asked Questions

What is the IUPAC name of 3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one?
The IUPAC name of 3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one (CID 178089202) is 3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one.
What is the SMILES notation for 3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one?
The canonical SMILES for 3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one is CN1CCC(=O)C(CCCCCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of 3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one?
The InChIKey is YAFNQTRNADGEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NO2Si/c1-30(2,3)34(27-18-12-9-13-19-27,28-20-14-10-15-21-28)33-24-16-8-6-5-7-11-17-26-25-31(4)23-22-29(26)32/h9-10,12-15,18-21,26H,5-8,11,16-17,22-25H2,1-4H3.
What are the key properties of 3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one?
3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one has a molecular weight of 479.78 g/mol, XLogP of 5.81, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one is sourced from PubChem (CID 178089202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).