6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one

C8H10O3 — CID 122218217

IUPAC6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one
SMILESO=C1CC2CC(C=CC2O)O1
InChIInChI=1S/C8H10O3/c9-7-2-1-6-3-5(7)4-8(10)11-6/h1-2,5-7,9H,3-4H2
InChIKeyQOIKLJLIIULMJB-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.24
Rot. Bonds

About 6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one

6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one (PubChem CID 122218217) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one.

Molecular Properties

Compound Name6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one
PubChem CID122218217
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one
SMILESO=C1CC2CC(C=CC2O)O1
InChIInChI=1S/C8H10O3/c9-7-2-1-6-3-5(7)4-8(10)11-6/h1-2,5-7,9H,3-4H2
InChIKeyQOIKLJLIIULMJB-UHFFFAOYSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one?
The IUPAC name of 6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one (CID 122218217) is 6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one.
What is the SMILES notation for 6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one?
The canonical SMILES for 6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one is O=C1CC2CC(C=CC2O)O1.
What is the InChIKey of 6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one?
The InChIKey is QOIKLJLIIULMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-7-2-1-6-3-5(7)4-8(10)11-6/h1-2,5-7,9H,3-4H2.
What are the key properties of 6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one?
6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one has a molecular weight of 154.17 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-oxabicyclo[3.3.1]non-7-en-3-one is sourced from PubChem (CID 122218217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).