4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one

C37H53NO4Si2 — CID 131747383

IUPAC4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one
SMILESCC1(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCC(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C37H53NO4Si2/c1-35(2,3)43(8,9)42-29-31-28-40-37(7,34(39)38(31)27-30-19-13-10-14-20-30)25-26-41-44(36(4,5)6,32-21-15-11-16-22-32)33-23-17-12-18-24-33/h10-24,31H,25-29H2,1-9H3
InChIKeyGAUNSZMDOZQEAZ-UHFFFAOYSA-N
MW632.01 g/mol
LogP7.16
Rot. Bonds11

About 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one

4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one (PubChem CID 131747383) has the molecular formula C37H53NO4Si2 and a molecular weight of 632.01 g/mol. Its IUPAC name is 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one.

Molecular Properties

Compound Name4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one
PubChem CID131747383
Molecular FormulaC37H53NO4Si2
Molecular Weight632.01 g/mol
Exact Mass631.35
IUPAC Name4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one
SMILESCC1(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCC(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C37H53NO4Si2/c1-35(2,3)43(8,9)42-29-31-28-40-37(7,34(39)38(31)27-30-19-13-10-14-20-30)25-26-41-44(36(4,5)6,32-21-15-11-16-22-32)33-23-17-12-18-24-33/h10-24,31H,25-29H2,1-9H3
InChIKeyGAUNSZMDOZQEAZ-UHFFFAOYSA-N
XLogP7.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.01
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one
CID 123921176
1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one
CID 123771378
(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15408396
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254557
(5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde
CID 165026609
[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane
CID 131749610
(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 15441175
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933
[(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 15415065
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one
CID 123748311

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one?
The IUPAC name of 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one (CID 131747383) is 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one.
What is the SMILES notation for 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one?
The canonical SMILES for 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one is CC1(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCC(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O.
What is the InChIKey of 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one?
The InChIKey is GAUNSZMDOZQEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H53NO4Si2/c1-35(2,3)43(8,9)42-29-31-28-40-37(7,34(39)38(31)27-30-19-13-10-14-20-30)25-26-41-44(36(4,5)6,32-21-15-11-16-22-32)33-23-17-12-18-24-33/h10-24,31H,25-29H2,1-9H3.
What are the key properties of 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one?
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one has a molecular weight of 632.01 g/mol, XLogP of 7.16, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one is sourced from PubChem (CID 131747383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).