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

C16H29NO3Si — CID 102278746

IUPACtert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-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/C16H29NO3Si/c1-15(2,3)20-14(18)17-13(12-19-16(17,4)5)10-9-11-21(6,7)8/h10-11,13H,12H2,1-8H3/t9?,13-/m1/s1
InChIKeyKMWNDEXDRMLINC-WCRCJTMVSA-N
MW311.50 g/mol
LogP3.95
Rot. Bonds2

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

tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 102278746) has the molecular formula C16H29NO3Si and a molecular weight of 311.50 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
PubChem CID102278746
Molecular FormulaC16H29NO3Si
Molecular Weight311.50 g/mol
Exact Mass311.19
IUPAC Nametert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-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/C16H29NO3Si/c1-15(2,3)20-14(18)17-13(12-19-16(17,4)5)10-9-11-21(6,7)8/h10-11,13H,12H2,1-8H3/t9?,13-/m1/s1
InChIKeyKMWNDEXDRMLINC-WCRCJTMVSA-N
XLogP3.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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 2,2-dimethyl-4-vinyloxazolidine-3-carboxylate
CID 13905152
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)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 102184012
tert-butyl (4R)-4-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 102447101
Tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11020618
tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-N-prop-2-enylcarbamate
CID 16091113

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate (CID 102278746) is tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-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-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is KMWNDEXDRMLINC-WCRCJTMVSA-N. The full InChI is InChI=1S/C16H29NO3Si/c1-15(2,3)20-14(18)17-13(12-19-16(17,4)5)10-9-11-21(6,7)8/h10-11,13H,12H2,1-8H3/t9?,13-/m1/s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 311.50 g/mol, XLogP of 3.95, 2 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-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 102278746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).