1,2-dicyclohexylethane-1,2-dione
1,2-dicyclohexylethane-1,2-dione structure
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Common Name | 1,2-dicyclohexylethane-1,2-dione | ||
|---|---|---|---|---|
| CAS Number | 951-88-2 | Molecular Weight | 222.32300 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C14H22O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,2-dicyclohexylethane-1,2-dione |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.32300 |
| Exact Mass | 222.16200 |
| PSA | 34.14000 |
| LogP | 3.28520 |
| InChIKey | ZWDFMOMBVDVEHE-UHFFFAOYSA-N |
| SMILES | O=C(C(=O)C1CCCCC1)C1CCCCC1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of human acetylcholinesterase 1
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL900099
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Name: Inhibition of human butyrylcholinesterase
Source: ChEMBL
Target: Cholinesterase
External Id: CHEMBL900100
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Name: Inhibition of human intestinal carboxylesterase
Source: ChEMBL
Target: N/A
External Id: CHEMBL900097
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Name: Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substr...
Source: ChEMBL
Target: Cocaine esterase
External Id: CHEMBL1816213
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Name: Inhibition of human carboxylesterase 1
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL900098
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Name: Inhibition of human liver carboxylesterase1 using o-nitrophenyl acetate as substrate ...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL1816212
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Name: Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate ...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL1816214
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Name: Cholinesterase Inhibition Assay from Article 10.1021/jm0706867: "Planarity and constr...
Source: BindingDB
Target: N/A
External Id: BindingDB_2642_2
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Name: Inhibition of human butyrylcholinesterase using butyrylthiocholine as substrate by sp...
Source: ChEMBL
Target: Cholinesterase
External Id: CHEMBL1816217
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Name: Enzyme Inhibition Assay from Article 10.1021/jm0706867: "Planarity and constraint of ...
Source: BindingDB
Target: N/A
External Id: BindingDB_2642_1
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| dicyclohexyl-ethanedione |
| Dicyclohexyldiketon |
| 1,2-Dione-Based Compound,7 |
| Ethanedione,dicyclohexyl |
| 1,2-dicyclohexylethanedione |
| 1,2-dicyclohexyl-ethane-1,2-dione |
| Dicyclohexyl-aethandion |
| Dodekahydrobenzil |
| 1,2-dicyclohexyl-1,2-ethanedione |
| 1,2-dicyclohexylethanodione |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 1,2-dicyclohexylethane-1,2-dione? |
| A: InChIKey of 1,2-dicyclohexylethane-1,2-dione is ZWDFMOMBVDVEHE-UHFFFAOYSA-N. |
| Q: What is the LogP of 1,2-dicyclohexylethane-1,2-dione? |
| A: LogP of 1,2-dicyclohexylethane-1,2-dione is 3.28520. |
| Q: What is the molecular formula of 1,2-dicyclohexylethane-1,2-dione? |
| A: Molecular formula of 1,2-dicyclohexylethane-1,2-dione is C14H22O2. |
| Q: What is the English name of 1,2-dicyclohexylethane-1,2-dione? |
| A: The English name of 1,2-dicyclohexylethane-1,2-dione is 1,2-dicyclohexylethane-1,2-dione. |
| Q: What is the Chinese name of 951-88-2? |
| A: Chinese name of 951-88-2 is 951-88-2. |
| Q: What is the CAS number of 1,2-dicyclohexylethane-1,2-dione? |
| A: CAS number of 1,2-dicyclohexylethane-1,2-dione is 951-88-2. |
| Q: What is the molecular weight of 1,2-dicyclohexylethane-1,2-dione? |
| A: Molecular weight of 1,2-dicyclohexylethane-1,2-dione is 222.32300. |
| Q: What is the polar surface area (PSA) of 1,2-dicyclohexylethane-1,2-dione? |
| A: Polar surface area (PSA) of 1,2-dicyclohexylethane-1,2-dione is 34.14000. |
| Q: What English synonyms does 1,2-dicyclohexylethane-1,2-dione have? |
| A: English synonyms of 1,2-dicyclohexylethane-1,2-dione: dicyclohexyl-ethanedione, Dicyclohexyldiketon, 1,2-Dione-Based Compound,7, Ethanedione,dicyclohexyl, 1,2-dicyclohexylethanedione, 1,2-dicyclohexyl-ethane-1,2-dione, Dicyclohexyl-aethandion, Dodekahydrobenzil, 1,2-dicyclohexyl-1,2-ethanedione, 1,2-dicyclohexylethanodione. |
| Q: What is the SMILES notation of 1,2-dicyclohexylethane-1,2-dione? |
| A: SMILES notation of 1,2-dicyclohexylethane-1,2-dione is O=C(C(=O)C1CCCCC1)C1CCCCC1. |