4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one

C28H41NO4Si — CID 131747384

IUPAC4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one
SMILESCC1(CCOCc2ccccc2)OCC(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)34(5,6)33-22-25-21-32-28(4,17-18-31-20-24-15-11-8-12-16-24)26(30)29(25)19-23-13-9-7-10-14-23/h7-16,25H,17-22H2,1-6H3
InChIKeyZKEYNCNDKIAGOE-UHFFFAOYSA-N
MW483.73 g/mol
LogP5.80
Rot. Bonds10

About 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one

4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one (PubChem CID 131747384) has the molecular formula C28H41NO4Si and a molecular weight of 483.73 g/mol. Its IUPAC name is 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one.

Molecular Properties

Compound Name4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one
PubChem CID131747384
Molecular FormulaC28H41NO4Si
Molecular Weight483.73 g/mol
Exact Mass483.28
IUPAC Name4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one
SMILESCC1(CCOCc2ccccc2)OCC(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)34(5,6)33-22-25-21-32-28(4,17-18-31-20-24-15-11-8-12-16-24)26(30)29(25)19-23-13-9-7-10-14-23/h7-16,25H,17-22H2,1-6H3
InChIKeyZKEYNCNDKIAGOE-UHFFFAOYSA-N
XLogP5.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.73
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one?
The IUPAC name of 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one (CID 131747384) is 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one.
What is the SMILES notation for 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one?
The canonical SMILES for 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one is CC1(CCOCc2ccccc2)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-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one?
The InChIKey is ZKEYNCNDKIAGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO4Si/c1-27(2,3)34(5,6)33-22-25-21-32-28(4,17-18-31-20-24-15-11-8-12-16-24)26(30)29(25)19-23-13-9-7-10-14-23/h7-16,25H,17-22H2,1-6H3.
What are the key properties of 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one?
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one has a molecular weight of 483.73 g/mol, XLogP of 5.80, 10 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-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one is sourced from PubChem (CID 131747384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).