tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate

C16H31NO3Si — CID 102184012

IUPACtert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](/C=C\C[Si](C)(C)C)COC1(C)C
InChIInChI=1S/C16H31NO3Si/c1-15(2,3)20-14(18)17-13(12-19-16(17,4)5)10-9-11-21(6,7)8/h9-10,13H,11-12H2,1-8H3/b10-9-/t13-/m1/s1
InChIKeyGHLJPUVEULLCGT-ASCRHOAZSA-N
MW313.51 g/mol
LogP4.25
Rot. Bonds3

About tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 102184012) has the molecular formula C16H31NO3Si and a molecular weight of 313.51 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate
PubChem CID102184012
Molecular FormulaC16H31NO3Si
Molecular Weight313.51 g/mol
Exact Mass313.21
IUPAC Nametert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](/C=C\C[Si](C)(C)C)COC1(C)C
InChIInChI=1S/C16H31NO3Si/c1-15(2,3)20-14(18)17-13(12-19-16(17,4)5)10-9-11-21(6,7)8/h9-10,13H,11-12H2,1-8H3/b10-9-/t13-/m1/s1
InChIKeyGHLJPUVEULLCGT-ASCRHOAZSA-N
XLogP4.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(4R)-2,2-Dimethyl-4-vinyloxazolidine-3-carboxylic acid tert-butyl ester
CID 10878894
tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate
CID 10697188
tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-trimethylsilylethenyl]-1,3-oxazolidine-3-carboxylate
CID 11141095
tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
CID 102278746
Tert-butyl 2,2-dimethyl-4-vinyloxazolidine-3-carboxylate
CID 13905152
1,1-Dimethylethyl (4S)-2,2-dimethyl-4-(1Z)-1-propen-1-yl-3-oxazolidinecarboxylate
CID 11107506
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate
CID 16091114
tert-butyl (4R)-2,2-dimethyl-4-[(E)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 57801792
tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
CID 10616070
tert-butyl (4S)-4-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10644102
tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
CID 10714029
tert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10916361

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate (CID 102184012) is tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](/C=C\C[Si](C)(C)C)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is GHLJPUVEULLCGT-ASCRHOAZSA-N. The full InChI is InChI=1S/C16H31NO3Si/c1-15(2,3)20-14(18)17-13(12-19-16(17,4)5)10-9-11-21(6,7)8/h9-10,13H,11-12H2,1-8H3/b10-9-/t13-/m1/s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 313.51 g/mol, XLogP of 4.25, 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-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 102184012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).