tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane

C32H49NO2Si — CID 11755975

About tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane (PubChem CID 11755975) has the molecular formula C32H49NO2Si and a molecular weight of 507.84 g/mol. Its IUPAC name is tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane
• PubChem CID: 11755975
• Molecular Formula: C32H49NO2Si
• Molecular Weight: 507.84 g/mol
• Exact Mass: 507.35
• IUPAC Name: tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane
• SMILES: CCCCCCCC/C=C/[C@@H]1OC(c2ccccc2)(c2ccccc2)N[C@H]1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C32H49NO2Si/c1-7-8-9-10-11-12-13-20-25-30-29(26-34-36(5,6)31(2,3)4)33-32(35-30,27-21-16-14-17-22-27)28-23-18-15-19-24-28/h14-25,29-30,33H,7-13,26H2,1-6H3/b25-20+/t29-,30-/m0/s1
• InChIKey: QNVUVACVRNUTST-NZDRZGQZSA-N
• XLogP: 8.57
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.84
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane (CID 11755975) is tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane is CCCCCCCC/C=C/[C@@H]1OC(c2ccccc2)(c2ccccc2)N[C@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane?

The InChIKey is QNVUVACVRNUTST-NZDRZGQZSA-N. The full InChI is InChI=1S/C32H49NO2Si/c1-7-8-9-10-11-12-13-20-25-30-29(26-34-36(5,6)31(2,3)4)33-32(35-30,27-21-16-14-17-22-27)28-23-18-15-19-24-28/h14-25,29-30,33H,7-13,26H2,1-6H3/b25-20+/t29-,30-/m0/s1.

What are the key properties of tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane?

tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane has a molecular weight of 507.84 g/mol, XLogP of 8.57, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11755975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).