(4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C26H33NO3Si — CID 102189163

About (4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 102189163) has the molecular formula C26H33NO3Si and a molecular weight of 435.64 g/mol. Its IUPAC name is (4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 102189163
• Molecular Formula: C26H33NO3Si
• Molecular Weight: 435.64 g/mol
• Exact Mass: 435.22
• IUPAC Name: (4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: C=C/C=C(\O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)OC[C@@H]1C(C)C
• InChI: InChI=1S/C26H33NO3Si/c1-7-14-24(27-23(20(2)3)19-29-25(27)28)30-31(26(4,5)6,21-15-10-8-11-16-21)22-17-12-9-13-18-22/h7-18,20,23H,1,19H2,2-6H3/b24-14-/t23-/m1/s1
• InChIKey: SXNKUSMKRQVYAB-UOAMGUFGSA-N
• XLogP: 5.07
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.64
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 102189163) is (4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=C/C=C(\O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)OC[C@@H]1C(C)C.

What is the InChIKey of (4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is SXNKUSMKRQVYAB-UOAMGUFGSA-N. The full InChI is InChI=1S/C26H33NO3Si/c1-7-14-24(27-23(20(2)3)19-29-25(27)28)30-31(26(4,5)6,21-15-10-8-11-16-21)22-17-12-9-13-18-22/h7-18,20,23H,1,19H2,2-6H3/b24-14-/t23-/m1/s1.

What are the key properties of (4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

(4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 435.64 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102189163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).