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

C19H31NO3Si — CID 131747379

IUPAC4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylmorpholin-3-one
SMILESCC1OCC(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C19H31NO3Si/c1-15-18(21)20(12-16-10-8-7-9-11-16)17(13-22-15)14-23-24(5,6)19(2,3)4/h7-11,15,17H,12-14H2,1-6H3
InChIKeyCOOOSDXTSZUZND-UHFFFAOYSA-N
MW349.55 g/mol
LogP3.82
Rot. Bonds5

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

4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylmorpholin-3-one (PubChem CID 131747379) has the molecular formula C19H31NO3Si and a molecular weight of 349.55 g/mol. Its IUPAC name is 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylmorpholin-3-one.

Molecular Properties

Compound Name4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylmorpholin-3-one
PubChem CID131747379
Molecular FormulaC19H31NO3Si
Molecular Weight349.55 g/mol
Exact Mass349.21
IUPAC Name4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylmorpholin-3-one
SMILESCC1OCC(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C19H31NO3Si/c1-15-18(21)20(12-16-10-8-7-9-11-16)17(13-22-15)14-23-24(5,6)19(2,3)4/h7-11,15,17H,12-14H2,1-6H3
InChIKeyCOOOSDXTSZUZND-UHFFFAOYSA-N
XLogP3.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 53.82
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-methylmorpholin-3-one?
The IUPAC name of 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylmorpholin-3-one (CID 131747379) is 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylmorpholin-3-one.
What is the SMILES notation for 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylmorpholin-3-one?
The canonical SMILES for 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylmorpholin-3-one is CC1OCC(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-methylmorpholin-3-one?
The InChIKey is COOOSDXTSZUZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3Si/c1-15-18(21)20(12-16-10-8-7-9-11-16)17(13-22-15)14-23-24(5,6)19(2,3)4/h7-11,15,17H,12-14H2,1-6H3.
What are the key properties of 4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylmorpholin-3-one?
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylmorpholin-3-one has a molecular weight of 349.55 g/mol, XLogP of 3.82, 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-methylmorpholin-3-one is sourced from PubChem (CID 131747379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).