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

C21H35NO3Si — CID 123748311

IUPAC4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one
SMILESCC1(C)OCC(C)(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H35NO3Si/c1-19(2,3)26(7,8)25-16-21(6)15-24-20(4,5)18(23)22(21)14-17-12-10-9-11-13-17/h9-13H,14-16H2,1-8H3
InChIKeyXVOYNMPCGUWWCH-UHFFFAOYSA-N
MW377.60 g/mol
LogP4.60
Rot. Bonds5

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

4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one (PubChem CID 123748311) has the molecular formula C21H35NO3Si and a molecular weight of 377.60 g/mol. Its IUPAC name is 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one.

Molecular Properties

Compound Name4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one
PubChem CID123748311
Molecular FormulaC21H35NO3Si
Molecular Weight377.60 g/mol
Exact Mass377.24
IUPAC Name4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one
SMILESCC1(C)OCC(C)(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H35NO3Si/c1-19(2,3)26(7,8)25-16-21(6)15-24-20(4,5)18(23)22(21)14-17-12-10-9-11-13-17/h9-13H,14-16H2,1-8H3
InChIKeyXVOYNMPCGUWWCH-UHFFFAOYSA-N
XLogP4.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one?
The IUPAC name of 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one (CID 123748311) is 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one.
What is the SMILES notation for 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one?
The canonical SMILES for 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one is CC1(C)OCC(C)(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]-2,2,5-trimethylmorpholin-3-one?
The InChIKey is XVOYNMPCGUWWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO3Si/c1-19(2,3)26(7,8)25-16-21(6)15-24-20(4,5)18(23)22(21)14-17-12-10-9-11-13-17/h9-13H,14-16H2,1-8H3.
What are the key properties of 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one?
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one has a molecular weight of 377.60 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one is sourced from PubChem (CID 123748311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).