About (3R)-3,6-dihydroxycyclohexane-1,2-dione
(3R)-3,6-dihydroxycyclohexane-1,2-dione (PubChem CID 123290269) has the molecular formula C6H8O4
and a molecular weight of 144.13 g/mol. Its IUPAC name is (3R)-3,6-dihydroxycyclohexane-1,2-dione.
Molecular Properties
| Compound Name | (3R)-3,6-dihydroxycyclohexane-1,2-dione |
|---|
| PubChem CID | 123290269 |
|---|
| Molecular Formula | C6H8O4 |
|---|
| Molecular Weight | 144.13 g/mol |
|---|
| Exact Mass | 144.04 |
|---|
| IUPAC Name | (3R)-3,6-dihydroxycyclohexane-1,2-dione |
|---|
| SMILES | O=C1C(=O)[C@H](O)CCC1O |
|---|
| InChI | InChI=1S/C6H8O4/c7-3-1-2-4(8)6(10)5(3)9/h3-4,7-8H,1-2H2/t3-,4?/m1/s1 |
|---|
| InChIKey | SIUMBOSTVZXUPX-SYPWQXSBSA-N |
|---|
| XLogP | -1.36 |
|---|
| TPSA | 74.60 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 144.13 |
| LogP ≤ 5 | -1.36 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
|---|
Analyze (3R)-3,6-dihydroxycyclohexane-1,2-dione 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 (3R)-3,6-dihydroxycyclohexane-1,2-dione?
The IUPAC name of (3R)-3,6-dihydroxycyclohexane-1,2-dione (CID 123290269) is (3R)-3,6-dihydroxycyclohexane-1,2-dione.
What is the SMILES notation for (3R)-3,6-dihydroxycyclohexane-1,2-dione?
The canonical SMILES for (3R)-3,6-dihydroxycyclohexane-1,2-dione is O=C1C(=O)[C@H](O)CCC1O.
What is the InChIKey of (3R)-3,6-dihydroxycyclohexane-1,2-dione?
The InChIKey is SIUMBOSTVZXUPX-SYPWQXSBSA-N. The full InChI is InChI=1S/C6H8O4/c7-3-1-2-4(8)6(10)5(3)9/h3-4,7-8H,1-2H2/t3-,4?/m1/s1.
What are the key properties of (3R)-3,6-dihydroxycyclohexane-1,2-dione?
(3R)-3,6-dihydroxycyclohexane-1,2-dione has a molecular weight of 144.13 g/mol, XLogP of -1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,6-dihydroxycyclohexane-1,2-dione is sourced from PubChem (CID 123290269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).