tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate

C15H31NO3Si — CID 15383273

IUPACtert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CC[Si](C)(C)C)COC1(C)C
InChIInChI=1S/C15H31NO3Si/c1-14(2,3)19-13(17)16-12(9-10-20(6,7)8)11-18-15(16,4)5/h12H,9-11H2,1-8H3/t12-/m1/s1
InChIKeyKAGYWPPVUHAKRE-GFCCVEGCSA-N
MW301.50 g/mol
LogP4.09
Rot. Bonds3

About tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 15383273) has the molecular formula C15H31NO3Si and a molecular weight of 301.50 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID15383273
Molecular FormulaC15H31NO3Si
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Nametert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CC[Si](C)(C)C)COC1(C)C
InChIInChI=1S/C15H31NO3Si/c1-14(2,3)19-13(17)16-12(9-10-20(6,7)8)11-18-15(16,4)5/h12H,9-11H2,1-8H3/t12-/m1/s1
InChIKeyKAGYWPPVUHAKRE-GFCCVEGCSA-N
XLogP4.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 54.09
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 tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate (CID 15383273) is tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](CC[Si](C)(C)C)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is KAGYWPPVUHAKRE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H31NO3Si/c1-14(2,3)19-13(17)16-12(9-10-20(6,7)8)11-18-15(16,4)5/h12H,9-11H2,1-8H3/t12-/m1/s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 301.50 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 15383273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).