(1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol

C₁₃H₂₂O₂ — CID 121262806

About (1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol

(1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol (PubChem CID 121262806) has the molecular formula C₁₃H₂₂O₂ and a molecular weight of 210.32 g/mol. Its IUPAC name is (1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol.

Molecular Properties

• Compound Name: (1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol
• PubChem CID: 121262806
• Molecular Formula: C₁₃H₂₂O₂
• Molecular Weight: 210.32 g/mol
• Exact Mass: 210.16
• IUPAC Name: (1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol
• SMILES: C=CC[C@H](C)[C@H]1CC[C@@H]([C@@H](O)CC=C)O1
• InChI: InChI=1S/C13H22O2/c1-4-6-10(3)12-8-9-13(15-12)11(14)7-5-2/h4-5,10-14H,1-2,6-9H2,3H3/t10-,11-,12+,13-/m0/s1
• InChIKey: RTSJYBJEZDMKQE-RVMXOQNASA-N
• XLogP: 2.68
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	210.32
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
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 (1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol?

The IUPAC name of (1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol (CID 121262806) is (1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol.

What is the SMILES notation for (1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol?

The canonical SMILES for (1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol is C=CC[C@H](C)[C@H]1CC[C@@H]([C@@H](O)CC=C)O1.

What is the InChIKey of (1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol?

The InChIKey is RTSJYBJEZDMKQE-RVMXOQNASA-N. The full InChI is InChI=1S/C13H22O2/c1-4-6-10(3)12-8-9-13(15-12)11(14)7-5-2/h4-5,10-14H,1-2,6-9H2,3H3/t10-,11-,12+,13-/m0/s1.

What are the key properties of (1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol?

(1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[(2S,5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-yl]but-3-en-1-ol is sourced from PubChem (CID 121262806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121262806 — identifiers, structure, computed properties (public domain)

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