4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one

C21H35NO3Si — CID 123921176

IUPAC4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one
SMILESCC1(C)OCC(CCO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H35NO3Si/c1-20(2,3)26(6,7)25-14-13-18-16-24-21(4,5)19(23)22(18)15-17-11-9-8-10-12-17/h8-12,18H,13-16H2,1-7H3
InChIKeyNCNWDEIEAIEGHN-UHFFFAOYSA-N
MW377.60 g/mol
LogP4.60
Rot. Bonds6

About 4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one

4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one (PubChem CID 123921176) has the molecular formula C21H35NO3Si and a molecular weight of 377.60 g/mol. Its IUPAC name is 4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one.

Molecular Properties

Compound Name4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one
PubChem CID123921176
Molecular FormulaC21H35NO3Si
Molecular Weight377.60 g/mol
Exact Mass377.24
IUPAC Name4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one
SMILESCC1(C)OCC(CCO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H35NO3Si/c1-20(2,3)26(6,7)25-14-13-18-16-24-21(4,5)19(23)22(18)15-17-11-9-8-10-12-17/h8-12,18H,13-16H2,1-7H3
InChIKeyNCNWDEIEAIEGHN-UHFFFAOYSA-N
XLogP4.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one
CID 131747384
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one
CID 131747383
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one
CID 123748311
(4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 14281572
2-[(2R)-4-benzyl-1-ethylpiperazin-2-yl]ethoxy-tert-butyl-dimethylsilane
CID 176897495
1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one
CID 123771378
1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one
CID 139909546
(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15408396
4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254557
(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 11371081
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933
(5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde
CID 165026609

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one?
The IUPAC name of 4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one (CID 123921176) is 4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one.
What is the SMILES notation for 4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one?
The canonical SMILES for 4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one is CC1(C)OCC(CCO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O.
What is the InChIKey of 4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one?
The InChIKey is NCNWDEIEAIEGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO3Si/c1-20(2,3)26(6,7)25-14-13-18-16-24-21(4,5)19(23)22(18)15-17-11-9-8-10-12-17/h8-12,18H,13-16H2,1-7H3.
What are the key properties of 4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one?
4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one has a molecular weight of 377.60 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one is sourced from PubChem (CID 123921176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).