(5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one

C20H33NO3Si — CID 131747392

IUPAC(5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one
SMILESCC1OC[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C20H33NO3Si/c1-15(24-25(6,7)20(3,4)5)18-14-23-16(2)19(22)21(18)13-17-11-9-8-10-12-17/h8-12,15-16,18H,13-14H2,1-7H3/t15-,16?,18-/m1/s1
InChIKeyVVCFIVRSQWBYKX-IFJNFQAOSA-N
MW363.57 g/mol
LogP4.21
Rot. Bonds5

About (5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one

(5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one (PubChem CID 131747392) has the molecular formula C20H33NO3Si and a molecular weight of 363.57 g/mol. Its IUPAC name is (5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one.

Molecular Properties

Compound Name(5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one
PubChem CID131747392
Molecular FormulaC20H33NO3Si
Molecular Weight363.57 g/mol
Exact Mass363.22
IUPAC Name(5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one
SMILESCC1OC[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C20H33NO3Si/c1-15(24-25(6,7)20(3,4)5)18-14-23-16(2)19(22)21(18)13-17-11-9-8-10-12-17/h8-12,15-16,18H,13-14H2,1-7H3/t15-,16?,18-/m1/s1
InChIKeyVVCFIVRSQWBYKX-IFJNFQAOSA-N
XLogP4.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one?
The IUPAC name of (5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one (CID 131747392) is (5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one.
What is the SMILES notation for (5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one?
The canonical SMILES for (5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one is CC1OC[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O.
What is the InChIKey of (5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one?
The InChIKey is VVCFIVRSQWBYKX-IFJNFQAOSA-N. The full InChI is InChI=1S/C20H33NO3Si/c1-15(24-25(6,7)20(3,4)5)18-14-23-16(2)19(22)21(18)13-17-11-9-8-10-12-17/h8-12,15-16,18H,13-14H2,1-7H3/t15-,16?,18-/m1/s1.
What are the key properties of (5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one?
(5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one has a molecular weight of 363.57 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-benzyl-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylmorpholin-3-one is sourced from PubChem (CID 131747392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).