(4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C24H49NO5Si2 — CID 11225541

About (4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11225541) has the molecular formula C24H49NO5Si2 and a molecular weight of 487.83 g/mol. Its IUPAC name is (4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 11225541
• Molecular Formula: C24H49NO5Si2
• Molecular Weight: 487.83 g/mol
• Exact Mass: 487.31
• IUPAC Name: (4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H49NO5Si2/c1-17(2)20-16-28-22(27)25(20)21(26)15-19(30-32(12,13)24(7,8)9)14-18(3)29-31(10,11)23(4,5)6/h17-20H,14-16H2,1-13H3/t18-,19-,20-/m1/s1
• InChIKey: JXWITVVHVZJELF-VAMGGRTRSA-N
• XLogP: 6.57
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.83
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
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 (4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11225541) is (4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is JXWITVVHVZJELF-VAMGGRTRSA-N. The full InChI is InChI=1S/C24H49NO5Si2/c1-17(2)20-16-28-22(27)25(20)21(26)15-19(30-32(12,13)24(7,8)9)14-18(3)29-31(10,11)23(4,5)6/h17-20H,14-16H2,1-13H3/t18-,19-,20-/m1/s1.

What are the key properties of (4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

(4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 487.83 g/mol, XLogP of 6.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11225541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).