(4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione

C21H33NO4Si — CID 10862109

IUPAC(4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione
SMILESCC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)C(=O)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C21H33NO4Si/c1-15(2)17(26-27(7,8)20(3,4)5)21(6)18(23)25-19(24)22(21)14-16-12-10-9-11-13-16/h9-13,15,17H,14H2,1-8H3/t17-,21+/m0/s1
InChIKeyINMCOSADGLYTJL-LAUBAEHRSA-N
MW391.58 g/mol
LogP4.97
Rot. Bonds6

About (4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione

(4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione (PubChem CID 10862109) has the molecular formula C21H33NO4Si and a molecular weight of 391.58 g/mol. Its IUPAC name is (4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione
PubChem CID10862109
Molecular FormulaC21H33NO4Si
Molecular Weight391.58 g/mol
Exact Mass391.22
IUPAC Name(4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione
SMILESCC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)C(=O)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C21H33NO4Si/c1-15(2)17(26-27(7,8)20(3,4)5)21(6)18(23)25-19(24)22(21)14-16-12-10-9-11-13-16/h9-13,15,17H,14H2,1-8H3/t17-,21+/m0/s1
InChIKeyINMCOSADGLYTJL-LAUBAEHRSA-N
XLogP4.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione (CID 10862109) is (4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione is CC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)C(=O)OC(=O)N1Cc1ccccc1.
What is the InChIKey of (4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione?
The InChIKey is INMCOSADGLYTJL-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H33NO4Si/c1-15(2)17(26-27(7,8)20(3,4)5)21(6)18(23)25-19(24)22(21)14-16-12-10-9-11-13-16/h9-13,15,17H,14H2,1-8H3/t17-,21+/m0/s1.
What are the key properties of (4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione?
(4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione has a molecular weight of 391.58 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 10862109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).