(5S)-5-ethenyl-5-methyloxolan-2-one

C₇H₁₀O₂ — CID 11344024

About (5S)-5-ethenyl-5-methyloxolan-2-one

(5S)-5-ethenyl-5-methyloxolan-2-one (PubChem CID 11344024) has the molecular formula C₇H₁₀O₂ and a molecular weight of 126.15 g/mol. Its IUPAC name is (5S)-5-ethenyl-5-methyloxolan-2-one.

Molecular Properties

• Compound Name: (5S)-5-ethenyl-5-methyloxolan-2-one
• PubChem CID: 11344024
• Molecular Formula: C₇H₁₀O₂
• Molecular Weight: 126.15 g/mol
• Exact Mass: 126.07
• IUPAC Name: (5S)-5-ethenyl-5-methyloxolan-2-one
• SMILES: C=C[C@]1(C)CCC(=O)O1
• InChI: InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3/t7-/m1/s1
• InChIKey: QESPSAHXYXIGBG-SSDOTTSWSA-N
• XLogP: 1.27
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	126.15
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethenyl-5-methyloxolan-2-one?

The IUPAC name of (5S)-5-ethenyl-5-methyloxolan-2-one (CID 11344024) is (5S)-5-ethenyl-5-methyloxolan-2-one.

What is the SMILES notation for (5S)-5-ethenyl-5-methyloxolan-2-one?

The canonical SMILES for (5S)-5-ethenyl-5-methyloxolan-2-one is C=C[C@]1(C)CCC(=O)O1.

What is the InChIKey of (5S)-5-ethenyl-5-methyloxolan-2-one?

The InChIKey is QESPSAHXYXIGBG-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3/t7-/m1/s1.

What are the key properties of (5S)-5-ethenyl-5-methyloxolan-2-one?

(5S)-5-ethenyl-5-methyloxolan-2-one has a molecular weight of 126.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-ethenyl-5-methyloxolan-2-one is sourced from PubChem (CID 11344024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11344024 — identifiers, structure, computed properties (public domain)

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