(1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol

C₈H₁₂O — CID 129413222

About (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol

(1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol (PubChem CID 129413222) has the molecular formula C₈H₁₂O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol.

Molecular Properties

• Compound Name: (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol
• PubChem CID: 129413222
• Molecular Formula: C₈H₁₂O
• Molecular Weight: 124.18 g/mol
• Exact Mass: 124.09
• IUPAC Name: (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol
• SMILES: O[C@@H]1[C@@H]2CC=C[C@H]1CC2
• InChI: InChI=1S/C8H12O/c9-8-6-2-1-3-7(8)5-4-6/h1-2,6-9H,3-5H2/t6-,7+,8-/m0/s1
• InChIKey: PSCKEPQDJFJYIJ-RNJXMRFFSA-N
• XLogP: 1.33
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	124.18
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol?

The IUPAC name of (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol (CID 129413222) is (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol.

What is the SMILES notation for (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol?

The canonical SMILES for (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol is O[C@@H]1[C@@H]2CC=C[C@H]1CC2.

What is the InChIKey of (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol?

The InChIKey is PSCKEPQDJFJYIJ-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H12O/c9-8-6-2-1-3-7(8)5-4-6/h1-2,6-9H,3-5H2/t6-,7+,8-/m0/s1.

What are the key properties of (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol?

(1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol has a molecular weight of 124.18 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol is sourced from PubChem (CID 129413222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 129413222 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.