[(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate

C₁₄H₂₄O₆ — CID 171578964

About [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate

[(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate (PubChem CID 171578964) has the molecular formula C₁₄H₂₄O₆ and a molecular weight of 288.34 g/mol. Its IUPAC name is [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate.

Molecular Properties

• Compound Name: [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate
• PubChem CID: 171578964
• Molecular Formula: C₁₄H₂₄O₆
• Molecular Weight: 288.34 g/mol
• Exact Mass: 288.16
• IUPAC Name: [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate
• SMILES: CO[C@H](C)CC(=O)O[C@H](C)CC(=O)O[C@@H](C)CC(C)=O
• InChI: InChI=1S/C14H24O6/c1-9(15)6-11(3)19-14(17)8-12(4)20-13(16)7-10(2)18-5/h10-12H,6-8H2,1-5H3/t10-,11+,12-/m1/s1
• InChIKey: NRDVOUYHIMFUIU-GRYCIOLGSA-N
• XLogP: 1.64
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.34
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate?

The IUPAC name of [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate (CID 171578964) is [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate.

What is the SMILES notation for [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate?

The canonical SMILES for [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate is CO[C@H](C)CC(=O)O[C@H](C)CC(=O)O[C@@H](C)CC(C)=O.

What is the InChIKey of [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate?

The InChIKey is NRDVOUYHIMFUIU-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H24O6/c1-9(15)6-11(3)19-14(17)8-12(4)20-13(16)7-10(2)18-5/h10-12H,6-8H2,1-5H3/t10-,11+,12-/m1/s1.

What are the key properties of [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate?

[(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate has a molecular weight of 288.34 g/mol, XLogP of 1.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate is sourced from PubChem (CID 171578964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171578964 — identifiers, structure, computed properties (public domain)

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