tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C21H43NO5Si — CID 68712818

About tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 68712818) has the molecular formula C21H43NO5Si and a molecular weight of 417.66 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• PubChem CID: 68712818
• Molecular Formula: C21H43NO5Si
• Molecular Weight: 417.66 g/mol
• Exact Mass: 417.29
• IUPAC Name: tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• SMILES: CC(C)(C)OC(=O)N1C(C[C@@H](CCO)CO[Si](C)(C)C(C)(C)C)COC1(C)C
• InChI: InChI=1S/C21H43NO5Si/c1-19(2,3)27-18(24)22-17(15-25-21(22,7)8)13-16(11-12-23)14-26-28(9,10)20(4,5)6/h16-17,23H,11-15H2,1-10H3/t16-,17?/m1/s1
• InChIKey: KXULHMUOASBPHR-TZHYSIJRSA-N
• XLogP: 4.77
• TPSA: 68.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.66
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 68712818) is tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(C[C@@H](CCO)CO[Si](C)(C)C(C)(C)C)COC1(C)C.

What is the InChIKey of tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The InChIKey is KXULHMUOASBPHR-TZHYSIJRSA-N. The full InChI is InChI=1S/C21H43NO5Si/c1-19(2,3)27-18(24)22-17(15-25-21(22,7)8)13-16(11-12-23)14-26-28(9,10)20(4,5)6/h16-17,23H,11-15H2,1-10H3/t16-,17?/m1/s1.

What are the key properties of tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 417.66 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 68712818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).