(4S)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C26H41NO6Si — CID 11306421

About (4S)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11306421) has the molecular formula C26H41NO6Si and a molecular weight of 491.70 g/mol. Its IUPAC name is (4S)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 11306421
• Molecular Formula: C26H41NO6Si
• Molecular Weight: 491.70 g/mol
• Exact Mass: 491.27
• IUPAC Name: (4S)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: COc1ccc(CO[C@H](C/C=C/CO[Si](C)(C)C(C)(C)C)C(=O)N2C(=O)OC[C@@H]2C(C)C)cc1
• InChI: InChI=1S/C26H41NO6Si/c1-19(2)22-18-32-25(29)27(22)24(28)23(31-17-20-12-14-21(30-6)15-13-20)11-9-10-16-33-34(7,8)26(3,4)5/h9-10,12-15,19,22-23H,11,16-18H2,1-8H3/b10-9+/t22-,23-/m1/s1
• InChIKey: FVQZOYPNKUMIBG-GZURJRJYSA-N
• XLogP: 5.55
• TPSA: 74.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.70
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11306421) is (4S)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is COc1ccc(CO[C@H](C/C=C/CO[Si](C)(C)C(C)(C)C)C(=O)N2C(=O)OC[C@@H]2C(C)C)cc1.

What is the InChIKey of (4S)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is FVQZOYPNKUMIBG-GZURJRJYSA-N. The full InChI is InChI=1S/C26H41NO6Si/c1-19(2)22-18-32-25(29)27(22)24(28)23(31-17-20-12-14-21(30-6)15-13-20)11-9-10-16-33-34(7,8)26(3,4)5/h9-10,12-15,19,22-23H,11,16-18H2,1-8H3/b10-9+/t22-,23-/m1/s1.

What are the key properties of (4S)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

(4S)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 491.70 g/mol, XLogP of 5.55, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(E,2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]hex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11306421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).