3,3-Dimethylcyclohexanone - CAS 2979-19-3
Catalog: |
BB020323 |
Product Name: |
3,3-Dimethylcyclohexanone |
CAS: |
2979-19-3 |
Synonyms: |
3,3-dimethylcyclohexan-1-one |
IUPAC Name: | 3,3-dimethylcyclohexan-1-one |
Description: | 3,3-Dimethylcyclohexanone acts as a reagent for the synthesis of Bistacrine derivatives as new potent antimalaria. |
Molecular Weight: | 126.20 |
Molecular Formula: | C8H14O |
Canonical SMILES: | CC1(CCCC(=O)C1)C |
InChI: | InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3 |
InChI Key: | ZVJQBBYAVPAFLX-UHFFFAOYSA-N |
Boiling Point: | 174-175 °C |
Density: | 0.909 g/cm3 |
Appearance: | Colorless to tan liquid |
MDL: | MFCD00040178 |
LogP: | 2.15570 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P305+P351+P338, P310, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112079795-A | Synthetic method of Venetork intermediate and analogue thereof | 20200916 |
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CN-111777626-B | Venetian-dihydroartemisinin split compound and preparation and application thereof | 20200622 |
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PMID | Publication Date | Title | Journal |
20521835 | 20100702 | A synthesis of the carbocyclic core of maoecrystal V | Organic letters |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.104465066 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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