4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one

C10H16O2 — CID 85247154

IUPAC4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one
SMILESCC1C2CCC(O)(CC2=O)C1C
InChIInChI=1S/C10H16O2/c1-6-7(2)10(12)4-3-8(6)9(11)5-10/h6-8,12H,3-5H2,1-2H3
InChIKeyACGLWJHCTXHRQO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds

About 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one

4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one (PubChem CID 85247154) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one
PubChem CID85247154
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one
SMILESCC1C2CCC(O)(CC2=O)C1C
InChIInChI=1S/C10H16O2/c1-6-7(2)10(12)4-3-8(6)9(11)5-10/h6-8,12H,3-5H2,1-2H3
InChIKeyACGLWJHCTXHRQO-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one?
The IUPAC name of 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one (CID 85247154) is 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one.
What is the SMILES notation for 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one?
The canonical SMILES for 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one is CC1C2CCC(O)(CC2=O)C1C.
What is the InChIKey of 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one?
The InChIKey is ACGLWJHCTXHRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-7(2)10(12)4-3-8(6)9(11)5-10/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one?
4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 85247154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).