5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

C9H10O3 — CID 548757

IUPAC5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1OC(O)C2C3C=CC(C3)C12
InChIInChI=1S/C9H10O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-8,10H,3H2
InChIKeyQJQKWWRFMPGUIQ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.30
Rot. Bonds

About 5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 548757) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID548757
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1OC(O)C2C3C=CC(C3)C12
InChIInChI=1S/C9H10O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-8,10H,3H2
InChIKeyQJQKWWRFMPGUIQ-UHFFFAOYSA-N
XLogP0.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.30
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 5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of 5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (CID 548757) is 5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for 5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for 5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is O=C1OC(O)C2C3C=CC(C3)C12.
What is the InChIKey of 5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is QJQKWWRFMPGUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-8,10H,3H2.
What are the key properties of 5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 166.18 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 548757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).