tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate

C18H35NO5Si — CID 88980904

IUPACtert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate
SMILESCC[Si](CC)(CC)O[C@H](C=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO5Si/c1-9-25(10-2,11-3)24-15(12-20)14-13-22-18(7,8)19(14)16(21)23-17(4,5)6/h12,14-15H,9-11,13H2,1-8H3/t14-,15+/m0/s1
InChIKeySLBXEYCQZFXUIL-LSDHHAIUSA-N
MW373.57 g/mol
LogP3.95
Rot. Bonds7

About tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 88980904) has the molecular formula C18H35NO5Si and a molecular weight of 373.57 g/mol. Its IUPAC name is tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate
PubChem CID88980904
Molecular FormulaC18H35NO5Si
Molecular Weight373.57 g/mol
Exact Mass373.23
IUPAC Nametert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate
SMILESCC[Si](CC)(CC)O[C@H](C=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO5Si/c1-9-25(10-2,11-3)24-15(12-20)14-13-22-18(7,8)19(14)16(21)23-17(4,5)6/h12,14-15H,9-11,13H2,1-8H3/t14-,15+/m0/s1
InChIKeySLBXEYCQZFXUIL-LSDHHAIUSA-N
XLogP3.95
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate
CID 88980900
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11449120
tert-butyl (4R)-2,2-dimethyl-4-[(1S)-2-oxo-1-phenylmethoxyethyl]-1,3-oxazolidine-3-carboxylate
CID 10450484
tert-butyl (4R)-2,2-dimethyl-4-[1-(methylamino)-3-oxopropyl]-1,3-oxazolidine-3-carboxylate
CID 88860361
tert-butyl (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10491379
tert-butyl 4-[(E,2R)-3-(hydroxymethyl)pent-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 102308156
tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10862073
tert-butyl 4-[(1S)-4-amino-1-hydroxybut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91363979
tert-butyl (4S)-4-[(S)-cyano(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11065036
[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-hydroxymethyl]-trifluoroboranuide
CID 135003670
tert-butyl 4-(4-methoxy-4-oxobutan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14523069
tert-butyl (4R)-4-[(1S)-1-hydroxy-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11392503

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate (CID 88980904) is tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate is CC[Si](CC)(CC)O[C@H](C=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is SLBXEYCQZFXUIL-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H35NO5Si/c1-9-25(10-2,11-3)24-15(12-20)14-13-22-18(7,8)19(14)16(21)23-17(4,5)6/h12,14-15H,9-11,13H2,1-8H3/t14-,15+/m0/s1.
What are the key properties of tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 373.57 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 88980904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).