4-hydroxybicyclo[2.2.2]octane-2,6-dione

C8H10O3 — CID 11665446

IUPAC4-hydroxybicyclo[2.2.2]octane-2,6-dione
SMILESO=C1CC2(O)CCC1C(=O)C2
InChIInChI=1S/C8H10O3/c9-6-3-8(11)2-1-5(6)7(10)4-8/h5,11H,1-4H2
InChIKeyIOCCWFIVRDPFSZ-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.06
Rot. Bonds

About 4-hydroxybicyclo[2.2.2]octane-2,6-dione

4-hydroxybicyclo[2.2.2]octane-2,6-dione (PubChem CID 11665446) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 4-hydroxybicyclo[2.2.2]octane-2,6-dione.

Molecular Properties

Compound Name4-hydroxybicyclo[2.2.2]octane-2,6-dione
PubChem CID11665446
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name4-hydroxybicyclo[2.2.2]octane-2,6-dione
SMILESO=C1CC2(O)CCC1C(=O)C2
InChIInChI=1S/C8H10O3/c9-6-3-8(11)2-1-5(6)7(10)4-8/h5,11H,1-4H2
InChIKeyIOCCWFIVRDPFSZ-UHFFFAOYSA-N
XLogP0.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-hydroxybicyclo[2.2.2]octane-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethylbicyclo[2.2.2]octane-2,6-dione
CID 130036327
(1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one
CID 15190336
4-[(4-bromophenyl)methoxy]bicyclo[2.2.2]octane-2,6-dione
CID 46938365
4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one
CID 85247154
bicyclo[2.2.2]octan-2-one;ethane
CID 91487453
2-amino-5-(dihydroxymethyl)-5-hydroxycyclohexan-1-one
CID 123295298
1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione
CID 5198403
bicyclo[2.2.1]heptan-1-ol
CID 524266
bicyclo[2.1.1]hexan-1-ol
CID 14867020
(4aS,9aS)-4a-hydroxy-5,6,7,8,9,9a-hexahydro-4H-benzo[7]annulene-1,3-dione
CID 139124857
8a-hydroxy-1,2,3,3a,5,6,7,8-octahydroazulen-4-one
CID 10773424
4-methyl-7-oxabicyclo[2.2.1]heptan-2-one
CID 72814695

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybicyclo[2.2.2]octane-2,6-dione?
The IUPAC name of 4-hydroxybicyclo[2.2.2]octane-2,6-dione (CID 11665446) is 4-hydroxybicyclo[2.2.2]octane-2,6-dione.
What is the SMILES notation for 4-hydroxybicyclo[2.2.2]octane-2,6-dione?
The canonical SMILES for 4-hydroxybicyclo[2.2.2]octane-2,6-dione is O=C1CC2(O)CCC1C(=O)C2.
What is the InChIKey of 4-hydroxybicyclo[2.2.2]octane-2,6-dione?
The InChIKey is IOCCWFIVRDPFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-6-3-8(11)2-1-5(6)7(10)4-8/h5,11H,1-4H2.
What are the key properties of 4-hydroxybicyclo[2.2.2]octane-2,6-dione?
4-hydroxybicyclo[2.2.2]octane-2,6-dione has a molecular weight of 154.16 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybicyclo[2.2.2]octane-2,6-dione is sourced from PubChem (CID 11665446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).