tert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C18H33NO3Si — CID 102489137

IUPACtert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](C#C[Si](C)(C)C(C)(C)C)COC1(C)C
InChIInChI=1S/C18H33NO3Si/c1-16(2,3)22-15(20)19-14(13-21-18(19,7)8)11-12-23(9,10)17(4,5)6/h14H,13H2,1-10H3/t14-/m1/s1
InChIKeyOARNDETUYFEQFE-CQSZACIVSA-N
MW339.55 g/mol
LogP4.41
Rot. Bonds

About tert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 102489137) has the molecular formula C18H33NO3Si and a molecular weight of 339.55 g/mol. Its IUPAC name is tert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID102489137
Molecular FormulaC18H33NO3Si
Molecular Weight339.55 g/mol
Exact Mass339.22
IUPAC Nametert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](C#C[Si](C)(C)C(C)(C)C)COC1(C)C
InChIInChI=1S/C18H33NO3Si/c1-16(2,3)22-15(20)19-14(13-21-18(19,7)8)11-12-23(9,10)17(4,5)6/h14H,13H2,1-10H3/t14-/m1/s1
InChIKeyOARNDETUYFEQFE-CQSZACIVSA-N
XLogP4.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (4R)-2,2-dimethyl-4-oxycyano-1,3-oxazolidine-3-carboxylate
CID 14933960
tert-butyl 2,2-dimethyl-4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]-1,3-oxazolidine-3-carboxylate
CID 68714989
tert-butyl (4S)-4-[(S)-cyano(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11065036
tert-butyl (4S)-2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-oxazolidine-3-carboxylate
CID 11042946
tert-butyl 4-(4-ethyl-3-hydroxy-7,7-dimethylnon-1-ynyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 143929155
tert-butyl (4R)-4-[(5R)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 24828330
tert-butyl (4S)-2,2-dimethyl-4-oxaldehydoyl-1,3-oxazolidine-3-carboxylate
CID 10682569
[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-hydroxymethyl]-trifluoroboranuide
CID 135003670
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11449120
tert-butyl (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10491379
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 (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 58893797

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 102489137) is tert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](C#C[Si](C)(C)C(C)(C)C)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is OARNDETUYFEQFE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H33NO3Si/c1-16(2,3)22-15(20)19-14(13-21-18(19,7)8)11-12-23(9,10)17(4,5)6/h14H,13H2,1-10H3/t14-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 339.55 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 102489137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).