Methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate

C₁₁H₁₈O₅ — CID 162871474

About Methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate

Methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate (PubChem CID 162871474) has the molecular formula C₁₁H₁₈O₅ and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate.

Molecular Properties

• Compound Name: Methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate
• PubChem CID: 162871474
• Molecular Formula: C₁₁H₁₈O₅
• Molecular Weight: 230.26 g/mol
• Exact Mass: 230.12
• IUPAC Name: methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate
• SMILES: CC[C@@H]1C[C@](C)([C@](C)(O)C(=O)OC)OC1=O
• InChI: InChI=1S/C11H18O5/c1-5-7-6-10(2,16-8(7)12)11(3,14)9(13)15-4/h7,14H,5-6H2,1-4H3/t7-,10-,11-/m1/s1
• InChIKey: PAZKVHTZNPAXBQ-AVPPRXQKSA-N
• XLogP: 0.64
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.26
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate?

The IUPAC name of Methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate (CID 162871474) is methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate.

What is the SMILES notation for Methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate?

The canonical SMILES for Methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate is CC[C@@H]1C[C@](C)([C@](C)(O)C(=O)OC)OC1=O.

What is the InChIKey of Methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate?

The InChIKey is PAZKVHTZNPAXBQ-AVPPRXQKSA-N. The full InChI is InChI=1S/C11H18O5/c1-5-7-6-10(2,16-8(7)12)11(3,14)9(13)15-4/h7,14H,5-6H2,1-4H3/t7-,10-,11-/m1/s1.

What are the key properties of Methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate?

Methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate has a molecular weight of 230.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate is sourced from PubChem (CID 162871474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162871474 — identifiers, structure, computed properties (public domain)

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