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

C22H33NO3Si — CID 10500437

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

tert-butyl (4S)-2,2-dimethyl-4-(3-phenyl-3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 10500437) has the molecular formula C22H33NO3Si and a molecular weight of 387.60 g/mol. Its IUPAC name is tert-butyl (4S)-2,2-dimethyl-4-(3-phenyl-3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4S)-2,2-dimethyl-4-(3-phenyl-3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
• PubChem CID: 10500437
• Molecular Formula: C22H33NO3Si
• Molecular Weight: 387.60 g/mol
• Exact Mass: 387.22
• IUPAC Name: tert-butyl (4S)-2,2-dimethyl-4-(3-phenyl-3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
• SMILES: CC(C)(C)OC(=O)N1[C@@H](C=C=C(c2ccccc2)[Si](C)(C)C)COC1(C)C
• InChI: InChI=1S/C22H33NO3Si/c1-21(2,3)26-20(24)23-18(16-25-22(23,4)5)14-15-19(27(6,7)8)17-12-10-9-11-13-17/h9-14,18H,16H2,1-8H3/t15?,18-/m0/s1
• InChIKey: HCIAGOWVVCFTQA-PKHIMPSTSA-N
• XLogP: 5.47
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.60
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-(3-phenyl-3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-(3-phenyl-3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate (CID 10500437) is tert-butyl (4S)-2,2-dimethyl-4-(3-phenyl-3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4S)-2,2-dimethyl-4-(3-phenyl-3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4S)-2,2-dimethyl-4-(3-phenyl-3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](C=C=C(c2ccccc2)[Si](C)(C)C)COC1(C)C.

What is the InChIKey of tert-butyl (4S)-2,2-dimethyl-4-(3-phenyl-3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?

The InChIKey is HCIAGOWVVCFTQA-PKHIMPSTSA-N. The full InChI is InChI=1S/C22H33NO3Si/c1-21(2,3)26-20(24)23-18(16-25-22(23,4)5)14-15-19(27(6,7)8)17-12-10-9-11-13-17/h9-14,18H,16H2,1-8H3/t15?,18-/m0/s1.

What are the key properties of tert-butyl (4S)-2,2-dimethyl-4-(3-phenyl-3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?

tert-butyl (4S)-2,2-dimethyl-4-(3-phenyl-3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 387.60 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4S)-2,2-dimethyl-4-(3-phenyl-3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10500437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).