(4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one

C27H41NO4Si — CID 11102769

About (4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 11102769) has the molecular formula C27H41NO4Si and a molecular weight of 471.71 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one
• PubChem CID: 11102769
• Molecular Formula: C27H41NO4Si
• Molecular Weight: 471.71 g/mol
• Exact Mass: 471.28
• IUPAC Name: (4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one
• SMILES: C/C=C\[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@@H](/C=C/C)O[Si](C)(C)C(C)(C)C(C)C
• InChI: InChI=1S/C27H41NO4Si/c1-9-14-23(24(15-10-2)32-33(7,8)27(5,6)20(3)4)25(29)28-22(19-31-26(28)30)18-21-16-12-11-13-17-21/h9-17,20,22-24H,18-19H2,1-8H3/b14-9-,15-10+/t22-,23-,24+/m0/s1
• InChIKey: VLXMANJAVCHJAN-HNQZBCJWSA-N
• XLogP: 6.37
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.71
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one (CID 11102769) is (4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one is C/C=C\[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@@H](/C=C/C)O[Si](C)(C)C(C)(C)C(C)C.

What is the InChIKey of (4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one?

The InChIKey is VLXMANJAVCHJAN-HNQZBCJWSA-N. The full InChI is InChI=1S/C27H41NO4Si/c1-9-14-23(24(15-10-2)32-33(7,8)27(5,6)20(3)4)25(29)28-22(19-31-26(28)30)18-21-16-12-11-13-17-21/h9-17,20,22-24H,18-19H2,1-8H3/b14-9-,15-10+/t22-,23-,24+/m0/s1.

What are the key properties of (4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one?

(4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 471.71 g/mol, XLogP of 6.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11102769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).